4-[3-chloranyl-4-[(2-methoxy-5-methyl-phenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[3-chloranyl-4-[(2-methoxy-5-methyl-phenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[3-chloro-4-[(2-methoxy-5-methyl-phenyl)carbamoylamino]phenyl]cyclohexanecarboxylic acid CAS Name: 4-[3-chloro-4-[[(2-methoxy-5-methylanilino)-oxomethyl]amino]phenyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[3-chloro-4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[3-chloro-4-[(2-methoxy-5-methyl-phenyl)carbamoylamino]phenyl]cyclohexanecarboxylic acid Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)NC2=C(C=C(C=C2)C3CCC(CC3)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)NC2=C(C=C(C=C2)C3CCC(CC3)C(=O)O)Cl

InChI

InChI=1S/C22H25ClN2O4/c1-13-3-10-20(29-2)19(11-13)25-22(28)24-18-9-8-16(12-17(18)23)14-4-6-15(7-5-14)21(26)27/h3,8-12,14-15H,4-7H2,1-2H3,(H,26,27)(H2,24,25,28)