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

Systemtic Name: 2-[[3-methoxy-4-(3-phenylpropoxy)phenyl]methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[3-methoxy-4-(3-phenylpropoxy)phenyl]methylamino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[3-methoxy-4-(3-phenylpropoxy)phenyl]methylamino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[3-methoxy-4-(3-phenylpropoxy)phenyl]methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[3-methoxy-4-(3-phenylpropoxy)benzyl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NCC2=CC(=C(C=C2)OCCCC3=CC=CC=C3)OC)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NCC2=CC(=C(C=C2)OCCCC3=CC=CC=C3)OC)C(=O)O

InChI

InChI=1S/C22H24N2O4S/c1-15-20(21(25)26)29-22(24-15)23-14-17-10-11-18(19(13-17)27-2)28-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,23,24)(H,25,26)