methyl (3aS,4R,7aR)-6-ethyl-4-(hydroxymethyl)-5-[(Z,1R)-5-(3-hydroxyphenyl)-1-oxidanyl-4-pyridin-2-yl-pent-4-enyl]-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindole-2-carboxylate

Systemtic Name: methyl (3aS,4R,7aR)-6-ethyl-4-(hydroxymethyl)-5-[(Z,1R)-5-(3-hydroxyphenyl)-1-oxidanyl-4-pyridin-2-yl-pent-4-enyl]-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindole-2-carboxylate Openeye Name: methyl (3aS,4R,7aR)-6-ethyl-5-[(Z,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-(2-pyridyl)pent-4-enyl]-4-(hydroxymethyl)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindole-2-carboxylate CAS Name: (3aS,4R,7aR)-6-ethyl-5-[(Z,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-(2-pyridinyl)pent-4-enyl]-4-(hydroxymethyl)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindole-2-carboxylic acid methyl ester IUPAC Name: methyl (3aS,4R,7aR)-6-ethyl-5-[(Z,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-pyridin-2-ylpent-4-enyl]-4-(hydroxymethyl)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindole-2-carboxylate Traditional Name: (3aS,4R,7aR)-6-ethyl-5-[(Z,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-(2-pyridyl)pent-4-enyl]-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(=CC3=CC(=CC=C3)O)C4=CC=CC=N4)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/C3=CC(=CC=C3)O)/C4=CC=CC=N4)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)11-10-19(23-9-4-5-12-30-23)13-17-7-6-8-20(33)14-17/h4-9,12-14,21-22,24,26,32-34H,3,10-11,15-16H2,1-2H3/b19-13-/t21-,22+,24-,26-/m1/s1