4-[2-[[5-chloranyl-2-(3-methylpiperidin-1-yl)phenyl]carbonylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[[5-chloranyl-2-(3-methylpiperidin-1-yl)phenyl]carbonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[[5-chloro-2-(3-methyl-1-piperidyl)benzoyl]amino]ethyl]benzoic acid CAS Name: 4-[2-[[[5-chloro-2-(3-methyl-1-piperidinyl)phenyl]-oxomethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[[5-chloro-2-(3-methylpiperidin-1-yl)benzoyl]amino]ethyl]benzoic acid Traditional Name: 4-[2-[[5-chloro-2-(3-methylpiperidino)benzoyl]amino]ethyl]benzoic acid Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H25ClN2O3/c1-15-3-2-12-25(14-15)20-9-8-18(23)13-19(20)21(26)24-11-10-16-4-6-17(7-5-16)22(27)28/h4-9,13,15H,2-3,10-12,14H2,1H3,(H,24,26)(H,27,28)