3-methoxy-4-[[2-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-1,3-thiazol-4-yl]methoxy]benzoic acid

Systemtic Name: 3-methoxy-4-[[2-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-1,3-thiazol-4-yl]methoxy]benzoic acid Openeye Name: 3-methoxy-4-[[2-[[4-(o-tolylcarbamoylamino)phenyl]methyl]thiazol-4-yl]methoxy]benzoic acid CAS Name: 3-methoxy-4-[[2-[[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]methyl]-4-thiazolyl]methoxy]benzoic acid IUPAC Name: 3-methoxy-4-[[2-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-1,3-thiazol-4-yl]methoxy]benzoic acid Traditional Name: 3-methoxy-4-[[2-[4-(o-tolylcarbamoylamino)benzyl]thiazol-4-yl]methoxy]benzoic acid Formula: C27H25N3O5S MolecularWeight: 503.5695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC3=NC(=CS3)COC4=C(C=C(C=C4)C(=O)O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC3=NC(=CS3)COC4=C(C=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C27H25N3O5S/c1-17-5-3-4-6-22(17)30-27(33)29-20-10-7-18(8-11-20)13-25-28-21(16-36-25)15-35-23-12-9-19(26(31)32)14-24(23)34-2/h3-12,14,16H,13,15H2,1-2H3,(H,31,32)(H2,29,30,33)