methyl (4aR,8aR)-3,7-bis(oxidanylidene)-2-(phenylmethyl)-1,4,8,8a-tetrahydroisoquinoline-4a-carboxylate

Systemtic Name: methyl (4aR,8aR)-3,7-bis(oxidanylidene)-2-(phenylmethyl)-1,4,8,8a-tetrahydroisoquinoline-4a-carboxylate Openeye Name: methyl (4aR,8aR)-2-benzyl-3,7-dioxo-1,4,8,8a-tetrahydroisoquinoline-4a-carboxylate CAS Name: (4aR,8aR)-3,7-dioxo-2-(phenylmethyl)-1,4,8,8a-tetrahydroisoquinoline-4a-carboxylic acid methyl ester IUPAC Name: methyl (4aR,8aR)-2-benzyl-3,7-dioxo-1,4,8,8a-tetrahydroisoquinoline-4a-carboxylate Traditional Name: (4aR,8aR)-2-benzyl-3,7-diketo-1,4,8,8a-tetrahydroisoquinoline-4a-carboxylic acid methyl ester Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC(=O)N(CC1CC(=O)C=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@]12CC(=O)N(C[C@@H]1CC(=O)C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H19NO4/c1-23-17(22)18-8-7-15(20)9-14(18)12-19(16(21)10-18)11-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3/t14-,18-/m0/s1