6-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[4-[(4-chlorophenyl)-phenyl-methyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[4-[(4-chlorophenyl)-phenylmethyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[4-[(4-chlorophenyl)-phenyl-methyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Formula: C25H27ClN2O3 MolecularWeight: 438.94648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)C4CC=CCC4C(=O)O

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)C4CC=CCC4C(=O)O

InChI

InChI=1S/C25H27ClN2O3/c26-20-12-10-19(11-13-20)23(18-6-2-1-3-7-18)27-14-16-28(17-15-27)24(29)21-8-4-5-9-22(21)25(30)31/h1-7,10-13,21-23H,8-9,14-17H2,(H,30,31)