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

Systemtic Name: 4-[[[4-[4-(dicyclohexylmethoxy)phenyl]-1,3-thiazol-2-yl]-propan-2-yl-amino]methyl]benzoic acid Openeye Name: 4-[[[4-[4-(dicyclohexylmethoxy)phenyl]thiazol-2-yl]-isopropyl-amino]methyl]benzoic acid CAS Name: 4-[[[4-[4-(dicyclohexylmethoxy)phenyl]-2-thiazolyl]-propan-2-ylamino]methyl]benzoic acid IUPAC Name: 4-[[[4-[4-(dicyclohexylmethoxy)phenyl]-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzoic acid Traditional Name: 4-[[[4-[4-(dicyclohexylmethoxy)phenyl]thiazol-2-yl]-isopropyl-amino]methyl]benzoic acid Formula: C33H42N2O3S MolecularWeight: 546.76318

Click to see the large picture

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)OC(C4CCCCC4)C5CCCCC5

Isomeric SMILES

CC(C)N(CC1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)OC(C4CCCCC4)C5CCCCC5

InChI

InChI=1S/C33H42N2O3S/c1-23(2)35(21-24-13-15-28(16-14-24)32(36)37)33-34-30(22-39-33)25-17-19-29(20-18-25)38-31(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h13-20,22-23,26-27,31H,3-12,21H2,1-2H3,(H,36,37)