2-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[3-methoxy-4-(p-tolylmethoxy)phenyl]methylamino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[3-methoxy-4-(4-methylbenzyl)oxy-benzyl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)CNC3=NC(=C(S3)C(=O)O)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)CNC3=NC(=C(S3)C(=O)O)C)OC

InChI

InChI=1S/C21H22N2O4S/c1-13-4-6-15(7-5-13)12-27-17-9-8-16(10-18(17)26-3)11-22-21-23-14(2)19(28-21)20(24)25/h4-10H,11-12H2,1-3H3,(H,22,23)(H,24,25)