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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO4/c23-19-11-10-14(16-7-4-5-8-17(16)22(27)28)12-18(19)21(26)24-13-15-6-2-1-3-9-20(15)25/h4-5,7-8,10-12,15,20,25H,1-3,6,9,13H2,(H,24,26)(H,27,28)