4-[1-azanyl-3-[5-chloranyl-2-(3-methylpiperidin-1-yl)phenyl]-1-oxidanylidene-butan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-[5-chloranyl-2-(3-methylpiperidin-1-yl)phenyl]-1-oxidanylidene-butan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[5-chloro-2-(3-methyl-1-piperidyl)phenyl]propyl]benzoic acid CAS Name: 4-[1-amino-3-[5-chloro-2-(3-methyl-1-piperidinyl)phenyl]-1-oxobutan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]-1-oxobutan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-[5-chloro-2-(3-methylpiperidino)phenyl]propyl]benzoic acid Formula: C23H27ClN2O3 MolecularWeight: 414.92508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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