methyl 4-[[[1-[3-(pyridin-4-ylcarbonylamino)phenyl]piperidin-4-yl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[1-[3-(pyridin-4-ylcarbonylamino)phenyl]piperidin-4-yl]amino]methyl]benzoate Openeye Name: methyl 4-[[[1-[3-(pyridine-4-carbonylamino)phenyl]-4-piperidyl]amino]methyl]benzoate CAS Name: 4-[[[1-[3-[[oxo(pyridin-4-yl)methyl]amino]phenyl]-4-piperidinyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-[3-(pyridine-4-carbonylamino)phenyl]piperidin-4-yl]amino]methyl]benzoate Traditional Name: 4-[[[1-(3-isonicotinamidophenyl)-4-piperidyl]amino]methyl]benzoic acid methyl ester Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2CCN(CC2)C3=CC(=CC=C3)NC(=O)C4=CC=NC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2CCN(CC2)C3=CC(=CC=C3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C26H28N4O3/c1-33-26(32)21-7-5-19(6-8-21)18-28-22-11-15-30(16-12-22)24-4-2-3-23(17-24)29-25(31)20-9-13-27-14-10-20/h2-10,13-14,17,22,28H,11-12,15-16,18H2,1H3,(H,29,31)