4-[4-[(3,4-dichlorophenyl)methylcarbamoylamino]phenyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[4-[(3,4-dichlorophenyl)methylcarbamoylamino]phenyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[4-[(3,4-dichlorophenyl)methylcarbamoylamino]phenyl]cyclohexanecarboxylic acid CAS Name: 4-[4-[[[(3,4-dichlorophenyl)methylamino]-oxomethyl]amino]phenyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[4-[(3,4-dichlorophenyl)methylcarbamoylamino]phenyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[4-[(3,4-dichlorobenzyl)carbamoylamino]phenyl]cyclohexanecarboxylic acid Formula: C21H22Cl2N2O3 MolecularWeight: 421.31698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=C(C=C2)NC(=O)NCC3=CC(=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

C1CC(CCC1C2=CC=C(C=C2)NC(=O)NCC3=CC(=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C21H22Cl2N2O3/c22-18-10-1-13(11-19(18)23)12-24-21(28)25-17-8-6-15(7-9-17)14-2-4-16(5-3-14)20(26)27/h1,6-11,14,16H,2-5,12H2,(H,26,27)(H2,24,25,28)