4-[1-azanyl-4-(5-chloranyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-butan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-4-(5-chloranyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-butan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-3-[5-chloro-2-(1-piperidyl)phenyl]propyl]benzoic acid CAS Name: 4-[1-amino-4-[5-chloro-2-(1-piperidinyl)phenyl]-1-oxobutan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-4-(5-chloro-2-piperidin-1-ylphenyl)-1-oxobutan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-3-(5-chloro-2-piperidino-phenyl)propyl]benzoic acid Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)Cl)CCC(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)Cl)CCC(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C22H25ClN2O3/c23-18-9-11-20(25-12-2-1-3-13-25)17(14-18)8-10-19(21(24)26)15-4-6-16(7-5-15)22(27)28/h4-7,9,11,14,19H,1-3,8,10,12-13H2,(H2,24,26)(H,27,28)