2-[(3-ethoxycarbonyl-4-naphthalen-1-yl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[(3-ethoxycarbonyl-4-naphthalen-1-yl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[3-ethoxycarbonyl-4-(1-naphthyl)-2-thienyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[[3-ethoxycarbonyl-4-(1-naphthalenyl)-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(3-ethoxycarbonyl-4-naphthalen-1-ylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[3-carbethoxy-4-(1-naphthyl)-2-thienyl]carbamoyl]cyclohexanecarboxylic acid Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC3=CC=CC=C32)NC(=O)C4CCCCC4C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC3=CC=CC=C32)NC(=O)C4CCCCC4C(=O)O

InChI

InChI=1S/C25H25NO5S/c1-2-31-25(30)21-20(17-13-7-9-15-8-3-4-10-16(15)17)14-32-23(21)26-22(27)18-11-5-6-12-19(18)24(28)29/h3-4,7-10,13-14,18-19H,2,5-6,11-12H2,1H3,(H,26,27)(H,28,29)