methyl 4-[[(6-oxidanylidene-1-phenethyl-piperidin-3-yl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(6-oxidanylidene-1-phenethyl-piperidin-3-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(6-oxo-1-phenethyl-piperidine-3-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[oxo-(6-oxo-1-phenethyl-3-piperidinyl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(6-oxo-1-phenethylpiperidine-3-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(6-keto-1-phenethyl-nipecotoyl)amino]methyl]benzoic acid methyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2CCC(=O)N(C2)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2CCC(=O)N(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4/c1-29-23(28)19-9-7-18(8-10-19)15-24-22(27)20-11-12-21(26)25(16-20)14-13-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H,24,27)