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

Systemtic Name: 3-nitrooxypropyl 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: 3-nitrooxypropyl 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-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]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 3-nitrooxypropyl ester Formula: C28H35N3O8 MolecularWeight: 541.5928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O8/c1-3-37-27(33)24(15-14-21-10-5-4-6-11-21)29-20(2)26(32)30-19-23-13-8-7-12-22(23)18-25(30)28(34)38-16-9-17-39-31(35)36/h4-8,10-13,20,24-25,29H,3,9,14-19H2,1-2H3