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

Systemtic Name: ethyl 4-[2-[(5-chloranyl-2-piperidin-1-yl-phenyl)methylamino]-2-oxidanylidene-ethyl]-2-ethoxy-benzoate Openeye Name: ethyl 4-[2-[[5-chloro-2-(1-piperidyl)phenyl]methylamino]-2-oxo-ethyl]-2-ethoxy-benzoate CAS Name: 4-[2-[[5-chloro-2-(1-piperidinyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(5-chloro-2-piperidin-1-ylphenyl)methylamino]-2-oxoethyl]-2-ethoxybenzoate Traditional Name: 4-[2-[(5-chloro-2-piperidino-benzyl)amino]-2-keto-ethyl]-2-ethoxy-benzoic acid ethyl ester Formula: C25H31ClN2O4 MolecularWeight: 458.97764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC(=O)NCC2=C(C=CC(=C2)Cl)N3CCCCC3)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CC(=O)NCC2=C(C=CC(=C2)Cl)N3CCCCC3)C(=O)OCC

InChI

InChI=1S/C25H31ClN2O4/c1-3-31-23-14-18(8-10-21(23)25(30)32-4-2)15-24(29)27-17-19-16-20(26)9-11-22(19)28-12-6-5-7-13-28/h8-11,14,16H,3-7,12-13,15,17H2,1-2H3,(H,27,29)