3-[(4-methyl-2-phenylmethoxy-phenyl)carbonyl-propan-2-yl-amino]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methyl-2-phenylmethoxy-phenyl)carbonyl-propan-2-yl-amino]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid Openeye Name: 3-[(2-benzyloxy-4-methyl-benzoyl)-isopropyl-amino]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid CAS Name: 3-[[(4-methyl-2-phenylmethoxyphenyl)-oxomethyl]-propan-2-ylamino]-5-[3-(trifluoromethyl)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methyl-2-phenylmethoxybenzoyl)-propan-2-ylamino]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid Traditional Name: 3-[(2-benzoxy-4-methyl-benzoyl)-isopropyl-amino]-5-[3-(trifluoromethyl)phenyl]-2-thenoic acid Formula: C30H26F3NO4S MolecularWeight: 553.59195

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N(C2=C(SC(=C2)C3=CC(=CC=C3)C(F)(F)F)C(=O)O)C(C)C)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N(C2=C(SC(=C2)C3=CC(=CC=C3)C(F)(F)F)C(=O)O)C(C)C)OCC4=CC=CC=C4

InChI

InChI=1S/C30H26F3NO4S/c1-18(2)34(28(35)23-13-12-19(3)14-25(23)38-17-20-8-5-4-6-9-20)24-16-26(39-27(24)29(36)37)21-10-7-11-22(15-21)30(31,32)33/h4-16,18H,17H2,1-3H3,(H,36,37)