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

Systemtic Name: 4-[4-[4-[(3-tert-butylphenyl)carbamoyl]phenyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[4-[(3-tert-butylphenyl)carbamoyl]phenyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[4-[(3-tert-butylanilino)-oxomethyl]phenyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[4-[(3-tert-butylphenyl)carbamoyl]phenyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[4-[(3-tert-butylphenyl)carbamoyl]phenyl]piperazino]benzoic acid Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H31N3O3/c1-28(2,3)22-5-4-6-23(19-22)29-26(32)20-7-11-24(12-8-20)30-15-17-31(18-16-30)25-13-9-21(10-14-25)27(33)34/h4-14,19H,15-18H2,1-3H3,(H,29,32)(H,33,34)