4-[[4-[4-[(4-cyclohexylphenyl)methylamino]phenyl]-1,3-thiazol-2-yl]-propan-2-yl-amino]benzoic acid

Systemtic Name: 4-[[4-[4-[(4-cyclohexylphenyl)methylamino]phenyl]-1,3-thiazol-2-yl]-propan-2-yl-amino]benzoic acid Openeye Name: 4-[[4-[4-[(4-cyclohexylphenyl)methylamino]phenyl]thiazol-2-yl]-isopropyl-amino]benzoic acid CAS Name: 4-[[4-[4-[(4-cyclohexylphenyl)methylamino]phenyl]-2-thiazolyl]-propan-2-ylamino]benzoic acid IUPAC Name: 4-[[4-[4-[(4-cyclohexylphenyl)methylamino]phenyl]-1,3-thiazol-2-yl]-propan-2-ylamino]benzoic acid Traditional Name: 4-[[4-[4-[(4-cyclohexylbenzyl)amino]phenyl]thiazol-2-yl]-isopropyl-amino]benzoic acid Formula: C32H35N3O2S MolecularWeight: 525.7042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)NCC4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)NCC4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C32H35N3O2S/c1-22(2)35(29-18-14-27(15-19-29)31(36)37)32-34-30(21-38-32)26-12-16-28(17-13-26)33-20-23-8-10-25(11-9-23)24-6-4-3-5-7-24/h8-19,21-22,24,33H,3-7,20H2,1-2H3,(H,36,37)