2-[2-[1-(3,4-dimethoxyphenyl)-2-phenyl-cyclopropyl]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[1-(3,4-dimethoxyphenyl)-2-phenyl-cyclopropyl]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[1-(3,4-dimethoxyphenyl)-2-phenyl-cyclopropyl]thiazol-4-yl]acetic acid CAS Name: 2-[2-[1-(3,4-dimethoxyphenyl)-2-phenylcyclopropyl]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[1-(3,4-dimethoxyphenyl)-2-phenylcyclopropyl]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[1-(3,4-dimethoxyphenyl)-2-phenyl-cyclopropyl]thiazol-4-yl]acetic acid Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CC2C3=CC=CC=C3)C4=NC(=CS4)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CC2C3=CC=CC=C3)C4=NC(=CS4)CC(=O)O)OC

InChI

InChI=1S/C22H21NO4S/c1-26-18-9-8-15(10-19(18)27-2)22(12-17(22)14-6-4-3-5-7-14)21-23-16(13-28-21)11-20(24)25/h3-10,13,17H,11-12H2,1-2H3,(H,24,25)