5-acetamido-2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]benzoic acid

Systemtic Name: 5-acetamido-2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]benzoic acid Openeye Name: 5-acetamido-2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]benzoic acid CAS Name: 5-acetamido-2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]benzoic acid IUPAC Name: 5-acetamido-2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]benzoic acid Traditional Name: 5-acetamido-2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]benzoic acid Formula: C26H26ClN3O3 MolecularWeight: 463.95594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C26H26ClN3O3/c1-18(31)28-22-11-12-24(23(17-22)26(32)33)29-13-15-30(16-14-29)25(19-5-3-2-4-6-19)20-7-9-21(27)10-8-20/h2-12,17,25H,13-16H2,1H3,(H,28,31)(H,32,33)