4-(4-nitrophenyl)butyl 4-(2-methylphenyl)piperazine-1-carboxylate

Systemtic Name: 4-(4-nitrophenyl)butyl 4-(2-methylphenyl)piperazine-1-carboxylate Openeye Name: 4-(4-nitrophenyl)butyl 4-(o-tolyl)piperazine-1-carboxylate CAS Name: 4-(2-methylphenyl)-1-piperazinecarboxylic acid 4-(4-nitrophenyl)butyl ester IUPAC Name: 4-(4-nitrophenyl)butyl 4-(2-methylphenyl)piperazine-1-carboxylate Traditional Name: 4-(o-tolyl)piperazine-1-carboxylic acid 4-(4-nitrophenyl)butyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)OCCCCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)OCCCCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4/c1-18-6-2-3-8-21(18)23-13-15-24(16-14-23)22(26)29-17-5-4-7-19-9-11-20(12-10-19)25(27)28/h2-3,6,8-12H,4-5,7,13-17H2,1H3