(1R,2S)-2-[(4-benzamido-2,5-dimethoxy-phenyl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(4-benzamido-2,5-dimethoxy-phenyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(4-benzamido-2,5-dimethoxy-phenyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[(4-benzamido-2,5-dimethoxyanilino)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(4-benzamido-2,5-dimethoxy-phenyl)carbamoyl]cyclohexanecarboxylic acid Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)C3CCCCC3C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)[C@H]3CCCC[C@H]3C(=O)O

InChI

InChI=1S/C23H26N2O6/c1-30-19-13-18(25-22(27)15-10-6-7-11-16(15)23(28)29)20(31-2)12-17(19)24-21(26)14-8-4-3-5-9-14/h3-5,8-9,12-13,15-16H,6-7,10-11H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)/t15-,16+/m0/s1