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

Systemtic Name: 4-[1-azanyl-4-(5-chloranyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-pentan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-3-[5-chloro-2-(1-piperidyl)phenyl]butyl]benzoic acid CAS Name: 4-[1-amino-4-[5-chloro-2-(1-piperidinyl)phenyl]-1-oxopentan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-4-(5-chloro-2-piperidin-1-ylphenyl)-1-oxopentan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-3-(5-chloro-2-piperidino-phenyl)butyl]benzoic acid Formula: C23H27ClN2O3 MolecularWeight: 414.92508

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=C(C=C1)C(=O)O)C(=O)N)C2=C(C=CC(=C2)Cl)N3CCCCC3

Isomeric SMILES

CC(CC(C1=CC=C(C=C1)C(=O)O)C(=O)N)C2=C(C=CC(=C2)Cl)N3CCCCC3

InChI

InChI=1S/C23H27ClN2O3/c1-15(13-20(22(25)27)16-5-7-17(8-6-16)23(28)29)19-14-18(24)9-10-21(19)26-11-3-2-4-12-26/h5-10,14-15,20H,2-4,11-13H2,1H3,(H2,25,27)(H,28,29)