3-nitrooxypropyl 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: 3-nitrooxypropyl 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: 3-nitrooxypropyl 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 3-nitrooxypropyl ester IUPAC Name: 3-nitrooxypropyl 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 3-nitrooxypropyl ester Formula: C30H39N3O10 MolecularWeight: 601.64476

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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)OCCCO[N+](=O)[O-])OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H39N3O10/c1-5-41-29(35)24(13-12-21-10-7-6-8-11-21)31-20(2)28(34)32-19-23-18-27(40-4)26(39-3)17-22(23)16-25(32)30(36)42-14-9-15-43-33(37)38/h6-8,10-11,17-18,20,24-25,31H,5,9,12-16,19H2,1-4H3