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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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