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

Systemtic Name: 4-[[[4-(5-chloranyl-2-phenylmethoxy-phenyl)-1,3-thiazol-2-yl]-propan-2-yl-amino]methyl]benzoic acid Openeye Name: 4-[[[4-(2-benzyloxy-5-chloro-phenyl)thiazol-2-yl]-isopropyl-amino]methyl]benzoic acid CAS Name: 4-[[[4-(5-chloro-2-phenylmethoxyphenyl)-2-thiazolyl]-propan-2-ylamino]methyl]benzoic acid IUPAC Name: 4-[[[4-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzoic acid Traditional Name: 4-[[[4-(2-benzoxy-5-chloro-phenyl)thiazol-2-yl]-isopropyl-amino]methyl]benzoic acid Formula: C27H25ClN2O3S MolecularWeight: 493.017

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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=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H25ClN2O3S/c1-18(2)30(15-19-8-10-21(11-9-19)26(31)32)27-29-24(17-34-27)23-14-22(28)12-13-25(23)33-16-20-6-4-3-5-7-20/h3-14,17-18H,15-16H2,1-2H3,(H,31,32)