3-[(2,2-dimethyl-1,3-dioxan-5-yl)-(4-methylcyclohexyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(2,2-dimethyl-1,3-dioxan-5-yl)-(4-methylcyclohexyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2,2-dimethyl-1,3-dioxan-5-yl)-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(2,2-dimethyl-1,3-dioxan-5-yl)-[(4-methylcyclohexyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,2-dimethyl-1,3-dioxan-5-yl)-(4-methylcyclohexanecarbonyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2,2-dimethyl-1,3-dioxan-5-yl)-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2COC(OC2)(C)C)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2COC(OC2)(C)C)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H31NO5S/c1-16-9-11-18(12-10-16)23(27)26(19-14-30-25(2,3)31-15-19)20-13-21(32-22(20)24(28)29)17-7-5-4-6-8-17/h4-8,13,16,18-19H,9-12,14-15H2,1-3H3,(H,28,29)