2-[4-chloranyl-3-[(1-oxidanylcyclohexyl)methylcarbamoyl]phenyl]benzoic acid

Systemtic Name: 2-[4-chloranyl-3-[(1-oxidanylcyclohexyl)methylcarbamoyl]phenyl]benzoic acid Openeye Name: 2-[4-chloro-3-[(1-hydroxycyclohexyl)methylcarbamoyl]phenyl]benzoic acid CAS Name: 2-[4-chloro-3-[[(1-hydroxycyclohexyl)methylamino]-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-[4-chloro-3-[(1-hydroxycyclohexyl)methylcarbamoyl]phenyl]benzoic acid Traditional Name: 2-[4-chloro-3-[(1-hydroxycyclohexyl)methylcarbamoyl]phenyl]benzoic acid Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=C(C=CC(=C2)C3=CC=CC=C3C(=O)O)Cl)O

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=C(C=CC(=C2)C3=CC=CC=C3C(=O)O)Cl)O

InChI

InChI=1S/C21H22ClNO4/c22-18-9-8-14(15-6-2-3-7-16(15)20(25)26)12-17(18)19(24)23-13-21(27)10-4-1-5-11-21/h2-3,6-9,12,27H,1,4-5,10-11,13H2,(H,23,24)(H,25,26)