methyl (3aS,4R,7aR)-6-ethyl-4-(hydroxymethyl)-1,3-bis(oxidanylidene)-5-[(1R,4E)-1-oxidanyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-(1H-pyridin-2-ylidene)pentyl]-3a,4,7,7a-tetrahydroisoindole-2-carboxylate

Systemtic Name: methyl (3aS,4R,7aR)-6-ethyl-4-(hydroxymethyl)-1,3-bis(oxidanylidene)-5-[(1R,4E)-1-oxidanyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-(1H-pyridin-2-ylidene)pentyl]-3a,4,7,7a-tetrahydroisoindole-2-carboxylate Openeye Name: methyl (3aS,4R,7aR)-6-ethyl-4-(hydroxymethyl)-5-[(1R,4E)-1-hydroxy-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-(1H-pyridin-2-ylidene)pentyl]-1,3-dioxo-3a,4,7,7a-tetrahydroisoindole-2-carboxylate CAS Name: (3aS,4R,7aR)-6-ethyl-4-(hydroxymethyl)-5-[(1R,4E)-1-hydroxy-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-4-(1H-pyridin-2-ylidene)pentyl]-1,3-dioxo-3a,4,7,7a-tetrahydroisoindole-2-carboxylic acid methyl ester IUPAC Name: methyl (3aS,4R,7aR)-6-ethyl-4-(hydroxymethyl)-5-[(1R,4E)-1-hydroxy-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-(1H-pyridin-2-ylidene)pentyl]-1,3-dioxo-3a,4,7,7a-tetrahydroisoindole-2-carboxylate Traditional Name: (3aS,4R,7aR)-6-ethyl-5-[(1R,4E)-1-hydroxy-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-(1H-pyridin-2-ylidene)pentyl]-1,3-diketo-4-methylol-3a,4,7,7a-tetrahydroisoindole-2-carboxylic acid methyl ester Formula: C29H32N2O7 MolecularWeight: 520.57358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C2C(C1)C(=O)N(C2=O)C(=O)OC)CO)C(CCC(=C3C=CC=CN3)C=C4C=CC(=O)C=C4)O

Isomeric SMILES

CCC1=C([C@@H]([C@H]2[C@@H](C1)C(=O)N(C2=O)C(=O)OC)CO)[C@@H](CC/C(=C\3/C=CC=CN3)/C=C4C=CC(=O)C=C4)O

InChI

InChI=1S/C29H32N2O7/c1-3-18-15-21-26(28(36)31(27(21)35)29(37)38-2)22(16-32)25(18)24(34)12-9-19(23-6-4-5-13-30-23)14-17-7-10-20(33)11-8-17/h4-8,10-11,13-14,21-22,24,26,30,32,34H,3,9,12,15-16H2,1-2H3/b23-19+/t21-,22+,24-,26-/m1/s1