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

Systemtic Name: 5-nitrooxypentyl 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: 5-nitrooxypentyl 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 5-nitrooxypentyl ester IUPAC Name: 5-nitrooxypentyl 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 5-nitrooxypentyl ester Formula: C30H39N3O8 MolecularWeight: 569.64596

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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)OCCCCCO[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C30H39N3O8/c1-3-39-29(35)26(17-16-23-12-6-4-7-13-23)31-22(2)28(34)32-21-25-15-9-8-14-24(25)20-27(32)30(36)40-18-10-5-11-19-41-33(37)38/h4,6-9,12-15,22,26-27,31H,3,5,10-11,16-21H2,1-2H3