4-[4-[5-[(3-tert-butylphenyl)carbamoyl]-2-chloranyl-phenyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[5-[(3-tert-butylphenyl)carbamoyl]-2-chloranyl-phenyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[5-[(3-tert-butylphenyl)carbamoyl]-2-chloro-phenyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[5-[(3-tert-butylanilino)-oxomethyl]-2-chlorophenyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[5-[(3-tert-butylphenyl)carbamoyl]-2-chlorophenyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[5-[(3-tert-butylphenyl)carbamoyl]-2-chloro-phenyl]piperazino]benzoic acid Formula: C28H30ClN3O3 MolecularWeight: 492.0091

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30ClN3O3/c1-28(2,3)21-5-4-6-22(18-21)30-26(33)20-9-12-24(29)25(17-20)32-15-13-31(14-16-32)23-10-7-19(8-11-23)27(34)35/h4-12,17-18H,13-16H2,1-3H3,(H,30,33)(H,34,35)