5-nitrooxypentyl (3R)-3-[cyclopropyl-(phenylmethyl)carbamoyl]-4-(4-methoxyphenyl)piperazine-1-carboxylate

Systemtic Name: 5-nitrooxypentyl (3R)-3-[cyclopropyl-(phenylmethyl)carbamoyl]-4-(4-methoxyphenyl)piperazine-1-carboxylate Openeye Name: 5-nitrooxypentyl (3R)-3-[benzyl(cyclopropyl)carbamoyl]-4-(4-methoxyphenyl)piperazine-1-carboxylate CAS Name: (3R)-3-[[cyclopropyl-(phenylmethyl)amino]-oxomethyl]-4-(4-methoxyphenyl)-1-piperazinecarboxylic acid 5-nitrooxypentyl ester IUPAC Name: 5-nitrooxypentyl (3R)-3-[benzyl(cyclopropyl)carbamoyl]-4-(4-methoxyphenyl)piperazine-1-carboxylate Traditional Name: (3R)-3-[benzyl(cyclopropyl)carbamoyl]-4-(4-methoxyphenyl)piperazine-1-carboxylic acid 5-nitrooxypentyl ester Formula: C28H36N4O7 MolecularWeight: 540.60804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2C(=O)N(CC3=CC=CC=C3)C4CC4)C(=O)OCCCCCO[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(C[C@@H]2C(=O)N(CC3=CC=CC=C3)C4CC4)C(=O)OCCCCCO[N+](=O)[O-]

InChI

InChI=1S/C28H36N4O7/c1-37-25-14-12-23(13-15-25)30-17-16-29(28(34)38-18-6-3-7-19-39-32(35)36)21-26(30)27(33)31(24-10-11-24)20-22-8-4-2-5-9-22/h2,4-5,8-9,12-15,24,26H,3,6-7,10-11,16-21H2,1H3/t26-/m1/s1