methyl 4-[[[1-(2-morpholin-4-ylethyl)-6-oxidanylidene-piperidin-3-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[1-(2-morpholin-4-ylethyl)-6-oxidanylidene-piperidin-3-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[1-(2-morpholinoethyl)-6-oxo-piperidine-3-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[1-[2-(4-morpholinyl)ethyl]-6-oxo-3-piperidinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[6-keto-1-(2-morpholinoethyl)nipecotoyl]amino]methyl]benzoic acid methyl ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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)CCN3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2CCC(=O)N(C2)CCN3CCOCC3

InChI

InChI=1S/C21H29N3O5/c1-28-21(27)17-4-2-16(3-5-17)14-22-20(26)18-6-7-19(25)24(15-18)9-8-23-10-12-29-13-11-23/h2-5,18H,6-15H2,1H3,(H,22,26)