4-[[[4-[4-[[2-(4-chlorophenyl)-5-methoxy-phenyl]methoxy]phenyl]-1,3-thiazol-2-yl]-propan-2-yl-amino]methyl]benzoic acid

Systemtic Name: 4-[[[4-[4-[[2-(4-chlorophenyl)-5-methoxy-phenyl]methoxy]phenyl]-1,3-thiazol-2-yl]-propan-2-yl-amino]methyl]benzoic acid Openeye Name: 4-[[[4-[4-[[2-(4-chlorophenyl)-5-methoxy-phenyl]methoxy]phenyl]thiazol-2-yl]-isopropyl-amino]methyl]benzoic acid CAS Name: 4-[[[4-[4-[[2-(4-chlorophenyl)-5-methoxyphenyl]methoxy]phenyl]-2-thiazolyl]-propan-2-ylamino]methyl]benzoic acid IUPAC Name: 4-[[[4-[4-[[2-(4-chlorophenyl)-5-methoxyphenyl]methoxy]phenyl]-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzoic acid Traditional Name: 4-[[[4-[4-[2-(4-chlorophenyl)-5-methoxy-benzyl]oxyphenyl]thiazol-2-yl]-isopropyl-amino]methyl]benzoic acid Formula: C34H31ClN2O4S MolecularWeight: 599.13894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)OCC4=C(C=CC(=C4)OC)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC(C)N(CC1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)OCC4=C(C=CC(=C4)OC)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C34H31ClN2O4S/c1-22(2)37(19-23-4-6-26(7-5-23)33(38)39)34-36-32(21-42-34)25-10-14-29(15-11-25)41-20-27-18-30(40-3)16-17-31(27)24-8-12-28(35)13-9-24/h4-18,21-22H,19-20H2,1-3H3,(H,38,39)