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

Systemtic Name: ethyl 4-[[(1S)-6,7-dimethoxy-2-(4-nitrophenyl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: ethyl 4-[[(1S)-6,7-dimethoxy-2-(4-nitrobenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[(1S)-6,7-dimethoxy-2-[(4-nitrophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1S)-6,7-dimethoxy-2-(4-nitrobenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[(1S)-6,7-dimethoxy-2-(4-nitrobenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester Formula: C28H28N2O8 MolecularWeight: 520.53052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@@H]2C3=CC(=C(C=C3CCN2C(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C28H28N2O8/c1-4-37-28(32)19-7-11-22(12-8-19)38-17-24-23-16-26(36-3)25(35-2)15-20(23)13-14-29(24)27(31)18-5-9-21(10-6-18)30(33)34/h5-12,15-16,24H,4,13-14,17H2,1-3H3/t24-/m1/s1