methyl 4-[[2-oxidanylidene-2-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methylamino]ethanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-oxidanylidene-2-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methylamino]ethanoyl]amino]benzoate Openeye Name: methyl 4-[[2-oxo-2-[[1-(3-pyridylmethyl)-4-piperidyl]methylamino]acetyl]amino]benzoate CAS Name: 4-[[1,2-dioxo-2-[[1-(3-pyridinylmethyl)-4-piperidinyl]methylamino]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-oxo-2-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-keto-2-[[1-(3-pyridylmethyl)-4-piperidyl]methylamino]acetyl]amino]benzoic acid methyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2CCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2CCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C22H26N4O4/c1-30-22(29)18-4-6-19(7-5-18)25-21(28)20(27)24-14-16-8-11-26(12-9-16)15-17-3-2-10-23-13-17/h2-7,10,13,16H,8-9,11-12,14-15H2,1H3,(H,24,27)(H,25,28)