ethyl 4-[[6,7-dimethoxy-2-(2-methyl-3-nitro-phenyl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate

Systemtic Name: ethyl 4-[[6,7-dimethoxy-2-(2-methyl-3-nitro-phenyl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: ethyl 4-[[6,7-dimethoxy-2-(2-methyl-3-nitro-benzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[6,7-dimethoxy-2-[(2-methyl-3-nitrophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6,7-dimethoxy-2-(2-methyl-3-nitrobenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[6,7-dimethoxy-2-(2-methyl-3-nitro-benzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester Formula: C29H30N2O8 MolecularWeight: 534.5571

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C)OC)OC

InChI

InChI=1S/C29H30N2O8/c1-5-38-29(33)19-9-11-21(12-10-19)39-17-25-23-16-27(37-4)26(36-3)15-20(23)13-14-30(25)28(32)22-7-6-8-24(18(22)2)31(34)35/h6-12,15-16,25H,5,13-14,17H2,1-4H3