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

Systemtic Name: 4-[1-[(5-chloranyl-2-piperidin-1-yl-phenyl)methylamino]-1-oxidanylidene-propan-2-yl]benzoic acid Openeye Name: 4-[2-[[5-chloro-2-(1-piperidyl)phenyl]methylamino]-1-methyl-2-oxo-ethyl]benzoic acid CAS Name: 4-[1-[[5-chloro-2-(1-piperidinyl)phenyl]methylamino]-1-oxopropan-2-yl]benzoic acid IUPAC Name: 4-[1-[(5-chloro-2-piperidin-1-ylphenyl)methylamino]-1-oxopropan-2-yl]benzoic acid Traditional Name: 4-[2-[(5-chloro-2-piperidino-benzyl)amino]-2-keto-1-methyl-ethyl]benzoic acid Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)O)C(=O)NCC2=C(C=CC(=C2)Cl)N3CCCCC3

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)O)C(=O)NCC2=C(C=CC(=C2)Cl)N3CCCCC3

InChI

InChI=1S/C22H25ClN2O3/c1-15(16-5-7-17(8-6-16)22(27)28)21(26)24-14-18-13-19(23)9-10-20(18)25-11-3-2-4-12-25/h5-10,13,15H,2-4,11-12,14H2,1H3,(H,24,26)(H,27,28)