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

Systemtic Name: 4-[[4-(5-methoxy-2-phenylmethoxy-phenyl)-1,3-thiazol-2-yl]amino]-3-phenylmethoxy-benzoic acid Openeye Name: 3-benzyloxy-4-[[4-(2-benzyloxy-5-methoxy-phenyl)thiazol-2-yl]amino]benzoic acid CAS Name: 4-[[4-(5-methoxy-2-phenylmethoxyphenyl)-2-thiazolyl]amino]-3-phenylmethoxybenzoic acid IUPAC Name: 4-[[4-(5-methoxy-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-phenylmethoxybenzoic acid Traditional Name: 3-benzoxy-4-[[4-(2-benzoxy-5-methoxy-phenyl)thiazol-2-yl]amino]benzoic acid Formula: C31H26N2O5S MolecularWeight: 538.61354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=CSC(=N3)NC4=C(C=C(C=C4)C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=CSC(=N3)NC4=C(C=C(C=C4)C(=O)O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H26N2O5S/c1-36-24-13-15-28(37-18-21-8-4-2-5-9-21)25(17-24)27-20-39-31(33-27)32-26-14-12-23(30(34)35)16-29(26)38-19-22-10-6-3-7-11-22/h2-17,20H,18-19H2,1H3,(H,32,33)(H,34,35)