methyl 4-[2-[(5-chloranyl-2-piperidin-1-yl-phenyl)methylamino]-2-oxidanylidene-ethyl]benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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