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

Systemtic Name: 4-[4-[5-[(4-tert-butylphenyl)carbamoyl]pyridin-2-yl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[5-[(4-tert-butylphenyl)carbamoyl]-2-pyridyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[5-[(4-tert-butylanilino)-oxomethyl]-2-pyridinyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[5-[(4-tert-butylphenyl)carbamoyl]pyridin-2-yl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[5-[(4-tert-butylphenyl)carbamoyl]-2-pyridyl]piperazino]benzoic acid Formula: C27H30N4O3 MolecularWeight: 458.5521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O3/c1-27(2,3)21-7-9-22(10-8-21)29-25(32)20-6-13-24(28-18-20)31-16-14-30(15-17-31)23-11-4-19(5-12-23)26(33)34/h4-13,18H,14-17H2,1-3H3,(H,29,32)(H,33,34)