2-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[4-chloro-3-[(cyclohexylamino)-oxomethyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C21H27ClN2O4 MolecularWeight: 406.90308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3CCCCC3C(=O)O)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3CCCCC3C(=O)O)Cl

InChI

InChI=1S/C21H27ClN2O4/c22-18-11-10-14(12-17(18)20(26)23-13-6-2-1-3-7-13)24-19(25)15-8-4-5-9-16(15)21(27)28/h10-13,15-16H,1-9H2,(H,23,26)(H,24,25)(H,27,28)