3-[4-(3-nitrooxypropyl)piperazin-1-yl]propyl 2-[4-(2-methylpropyl)phenyl]propanoate

Systemtic Name: 3-[4-(3-nitrooxypropyl)piperazin-1-yl]propyl 2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: 3-[4-(3-nitrooxypropyl)piperazin-1-yl]propyl 2-(4-isobutylphenyl)propanoate CAS Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid 3-[4-(3-nitrooxypropyl)-1-piperazinyl]propyl ester IUPAC Name: 3-[4-(3-nitrooxypropyl)piperazin-1-yl]propyl 2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: 2-(4-isobutylphenyl)propionic acid 3-[4-(3-nitrooxypropyl)piperazino]propyl ester Formula: C23H37N3O5 MolecularWeight: 435.55698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCCCN2CCN(CC2)CCCO[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCCCN2CCN(CC2)CCCO[N+](=O)[O-]

InChI

InChI=1S/C23H37N3O5/c1-19(2)18-21-6-8-22(9-7-21)20(3)23(27)30-16-4-10-24-12-14-25(15-13-24)11-5-17-31-26(28)29/h6-9,19-20H,4-5,10-18H2,1-3H3