2-[1-(3,4-dimethoxyphenyl)-2-phenyl-cyclopropyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[1-(3,4-dimethoxyphenyl)-2-phenyl-cyclopropyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[1-(3,4-dimethoxyphenyl)-2-phenyl-cyclopropyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[1-(3,4-dimethoxyphenyl)-2-phenylcyclopropyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[1-(3,4-dimethoxyphenyl)-2-phenylcyclopropyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[1-(3,4-dimethoxyphenyl)-2-phenyl-cyclopropyl]-4-methyl-thiazole-5-carboxylic acid Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2(CC2C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2(CC2C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)C(=O)O

InChI

InChI=1S/C22H21NO4S/c1-13-19(20(24)25)28-21(23-13)22(12-16(22)14-7-5-4-6-8-14)15-9-10-17(26-2)18(11-15)27-3/h4-11,16H,12H2,1-3H3,(H,24,25)