3-[(1,4-dimethylcyclohexyl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(1,4-dimethylcyclohexyl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(1,4-dimethylcyclohexanecarbonyl)-isopropyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(1,4-dimethylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(1,4-dimethylcyclohexanecarbonyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(1,4-dimethylcyclohexanecarbonyl)-isopropyl-amino]-5-phenyl-2-thenoic acid Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C)C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)(C)C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(C)C

InChI

InChI=1S/C23H29NO3S/c1-15(2)24(22(27)23(4)12-10-16(3)11-13-23)18-14-19(28-20(18)21(25)26)17-8-6-5-7-9-17/h5-9,14-16H,10-13H2,1-4H3,(H,25,26)