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

Systemtic Name: ethyl 4-[[(1S)-6,7-dimethoxy-2-(3-nitrophenyl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: ethyl 4-[[(1S)-6,7-dimethoxy-2-(3-nitrobenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[(1S)-6,7-dimethoxy-2-[(3-nitrophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1S)-6,7-dimethoxy-2-(3-nitrobenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[(1S)-6,7-dimethoxy-2-(3-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(=CC=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(=CC=C4)[N+](=O)[O-])OC)OC

InChI

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