ethyl 6-methoxy-1-[[4-methoxy-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methyl]-7-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 6-methoxy-1-[[4-methoxy-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methyl]-7-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 7-hydroxy-6-methoxy-1-[(4-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-hydroxy-6-methoxy-1-[(4-methoxy-3,6-dioxo-1-cyclohexa-1,4-dienyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-hydroxy-6-methoxy-1-[(4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[(3,6-diketo-4-methoxy-cyclohexa-1,4-dien-1-yl)methyl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=CC(=C(C=C2C1CC3=CC(=O)C(=CC3=O)OC)O)OC

Isomeric SMILES

CCOC(=O)N1CCC2=CC(=C(C=C2C1CC3=CC(=O)C(=CC3=O)OC)O)OC

InChI

InChI=1S/C21H23NO7/c1-4-29-21(26)22-6-5-12-9-19(27-2)18(25)10-14(12)15(22)7-13-8-17(24)20(28-3)11-16(13)23/h8-11,15,25H,4-7H2,1-3H3