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

Systemtic Name: 3-nitrooxypropyl (3R)-3-[cyclopropyl-(phenylmethyl)carbamoyl]-4-(4-methoxyphenyl)piperazine-1-carboxylate Openeye Name: 3-nitrooxypropyl (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 3-nitrooxypropyl ester IUPAC Name: 3-nitrooxypropyl (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 3-nitrooxypropyl ester Formula: C26H32N4O7 MolecularWeight: 512.55488

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O7/c1-35-23-12-10-21(11-13-23)28-15-14-27(26(32)36-16-5-17-37-30(33)34)19-24(28)25(31)29(22-8-9-22)18-20-6-3-2-4-7-20/h2-4,6-7,10-13,22,24H,5,8-9,14-19H2,1H3/t24-/m1/s1