4-[2-(4-chloranyl-2-piperidin-1-yl-phenyl)propanoylcarbamoyl]benzoic acid

Systemtic Name: 4-[2-(4-chloranyl-2-piperidin-1-yl-phenyl)propanoylcarbamoyl]benzoic acid Openeye Name: 4-[2-[4-chloro-2-(1-piperidyl)phenyl]propanoylcarbamoyl]benzoic acid CAS Name: 4-[[[2-[4-chloro-2-(1-piperidinyl)phenyl]-1-oxopropyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[2-(4-chloro-2-piperidin-1-ylphenyl)propanoylcarbamoyl]benzoic acid Traditional Name: 4-[2-(4-chloro-2-piperidino-phenyl)propanoylcarbamoyl]benzoic acid Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)Cl)N2CCCCC2)C(=O)NC(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C1=C(C=C(C=C1)Cl)N2CCCCC2)C(=O)NC(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H23ClN2O4/c1-14(18-10-9-17(23)13-19(18)25-11-3-2-4-12-25)20(26)24-21(27)15-5-7-16(8-6-15)22(28)29/h5-10,13-14H,2-4,11-12H2,1H3,(H,28,29)(H,24,26,27)