4-nitrooxybutyl 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: 4-nitrooxybutyl 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: 4-nitrooxybutyl 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 4-nitrooxybutyl ester Formula: C31H41N3O10 MolecularWeight: 615.67134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC(=C(C=C3CC2C(=O)OCCCCO[N+](=O)[O-])OC)OC

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC(=C(C=C3CC2C(=O)OCCCCO[N+](=O)[O-])OC)OC

InChI

InChI=1S/C31H41N3O10/c1-5-42-30(36)25(14-13-22-11-7-6-8-12-22)32-21(2)29(35)33-20-24-19-28(41-4)27(40-3)18-23(24)17-26(33)31(37)43-15-9-10-16-44-34(38)39/h6-8,11-12,18-19,21,25-26,32H,5,9-10,13-17,20H2,1-4H3