4-[4-[[3-(chloromethyloxy)phenyl]carbamoylamino]phenyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[4-[[3-(chloromethyloxy)phenyl]carbamoylamino]phenyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[4-[[3-(chloromethoxy)phenyl]carbamoylamino]phenyl]cyclohexanecarboxylic acid CAS Name: 4-[4-[[[3-(chloromethoxy)anilino]-oxomethyl]amino]phenyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[4-[[3-(chloromethoxy)phenyl]carbamoylamino]phenyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[4-[[3-(chloromethoxy)phenyl]carbamoylamino]phenyl]cyclohexanecarboxylic acid Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=C(C=C2)NC(=O)NC3=CC(=CC=C3)OCCl)C(=O)O

Isomeric SMILES

C1CC(CCC1C2=CC=C(C=C2)NC(=O)NC3=CC(=CC=C3)OCCl)C(=O)O

InChI

InChI=1S/C21H23ClN2O4/c22-13-28-19-3-1-2-18(12-19)24-21(27)23-17-10-8-15(9-11-17)14-4-6-16(7-5-14)20(25)26/h1-3,8-12,14,16H,4-7,13H2,(H,25,26)(H2,23,24,27)