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

Systemtic Name: 2-[4-chloranyl-3-[(1-oxidanylcycloheptyl)methylcarbamoyl]phenyl]benzoic acid Openeye Name: 2-[4-chloro-3-[(1-hydroxycycloheptyl)methylcarbamoyl]phenyl]benzoic acid CAS Name: 2-[4-chloro-3-[[(1-hydroxycycloheptyl)methylamino]-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-[4-chloro-3-[(1-hydroxycycloheptyl)methylcarbamoyl]phenyl]benzoic acid Traditional Name: 2-[4-chloro-3-[(1-hydroxycycloheptyl)methylcarbamoyl]phenyl]benzoic acid Formula: C22H24ClNO4 MolecularWeight: 401.88326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CNC(=O)C2=C(C=CC(=C2)C3=CC=CC=C3C(=O)O)Cl)O

Isomeric SMILES

C1CCCC(CC1)(CNC(=O)C2=C(C=CC(=C2)C3=CC=CC=C3C(=O)O)Cl)O

InChI

InChI=1S/C22H24ClNO4/c23-19-10-9-15(16-7-3-4-8-17(16)21(26)27)13-18(19)20(25)24-14-22(28)11-5-1-2-6-12-22/h3-4,7-10,13,28H,1-2,5-6,11-12,14H2,(H,24,25)(H,26,27)