4-[[cyclopentyl-(4,5-diphenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[cyclopentyl-(4,5-diphenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid Openeye Name: 4-[[cyclopentyl-(4,5-diphenylthiazol-2-yl)amino]methyl]benzoic acid CAS Name: 4-[[cyclopentyl-(4,5-diphenyl-2-thiazolyl)amino]methyl]benzoic acid IUPAC Name: 4-[[cyclopentyl-(4,5-diphenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid Traditional Name: 4-[[cyclopentyl-(4,5-diphenylthiazol-2-yl)amino]methyl]benzoic acid Formula: C28H26N2O2S MolecularWeight: 454.58324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC=C(C=C2)C(=O)O)C3=NC(=C(S3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)N(CC2=CC=C(C=C2)C(=O)O)C3=NC(=C(S3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H26N2O2S/c31-27(32)23-17-15-20(16-18-23)19-30(24-13-7-8-14-24)28-29-25(21-9-3-1-4-10-21)26(33-28)22-11-5-2-6-12-22/h1-6,9-12,15-18,24H,7-8,13-14,19H2,(H,31,32)