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

Systemtic Name: 2-[4-chloranyl-3-(cycloheptylmethylcarbamoyl)phenyl]benzoic acid Openeye Name: 2-[4-chloro-3-(cycloheptylmethylcarbamoyl)phenyl]benzoic acid CAS Name: 2-[4-chloro-3-[(cycloheptylmethylamino)-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-[4-chloro-3-(cycloheptylmethylcarbamoyl)phenyl]benzoic acid Traditional Name: 2-[4-chloro-3-(cycloheptylmethylcarbamoyl)phenyl]benzoic acid Formula: C22H24ClNO3 MolecularWeight: 385.88386

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO3/c23-20-12-11-16(17-9-5-6-10-18(17)22(26)27)13-19(20)21(25)24-14-15-7-3-1-2-4-8-15/h5-6,9-13,15H,1-4,7-8,14H2,(H,24,25)(H,26,27)