(1R,2S)-2-[(4-phenyl-3-propoxycarbonyl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(4-phenyl-3-propoxycarbonyl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(4-phenyl-3-propoxycarbonyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[oxo-[[3-[oxo(propoxy)methyl]-4-phenyl-2-thiophenyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(4-phenyl-3-propoxycarbonylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(4-phenyl-3-propoxycarbonyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3CCCCC3C(=O)O

Isomeric SMILES

CCCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)[C@H]3CCCC[C@H]3C(=O)O

InChI

InChI=1S/C22H25NO5S/c1-2-12-28-22(27)18-17(14-8-4-3-5-9-14)13-29-20(18)23-19(24)15-10-6-7-11-16(15)21(25)26/h3-5,8-9,13,15-16H,2,6-7,10-12H2,1H3,(H,23,24)(H,25,26)/t15-,16+/m0/s1