2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[4-[4-(3-chlorophenyl)-1-piperazinyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[4-[4-(3-chlorophenyl)piperazino]phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C24H28ClN3O3 MolecularWeight: 441.95042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)O

Isomeric SMILES

C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)O

InChI

InChI=1S/C24H28ClN3O3/c25-17-4-3-5-20(16-17)28-14-12-27(13-15-28)19-10-8-18(9-11-19)26-23(29)21-6-1-2-7-22(21)24(30)31/h3-5,8-11,16,21-22H,1-2,6-7,12-15H2,(H,26,29)(H,30,31)