4-nitrooxybutyl 1-[6-azanyl-2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylate

Systemtic Name: 4-nitrooxybutyl 1-[6-azanyl-2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylate Openeye Name: 4-nitrooxybutyl 1-[6-amino-2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]hexanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[6-amino-2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 1-[6-amino-2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[6-amino-2-[(1-carbethoxy-3-phenyl-propyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid 4-nitrooxybutyl ester Formula: C27H42N4O8 MolecularWeight: 550.64438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(CCCCN)C(=O)N2CCCC2C(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(CCCCN)C(=O)N2CCCC2C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C27H42N4O8/c1-2-37-26(33)23(16-15-21-11-4-3-5-12-21)29-22(13-6-7-17-28)25(32)30-18-10-14-24(30)27(34)38-19-8-9-20-39-31(35)36/h3-5,11-12,22-24,29H,2,6-10,13-20,28H2,1H3