ethyl 1-[2-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]anilino]-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]anilino]-2-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]anilino]-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-keto-2-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]anilino]ethyl]isonipecotic acid ethyl ester Formula: C26H30N6O3 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC(=O)NC2=CC(=C(C=C2)C)NC3=NC=CC(=N3)C4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC(=O)NC2=CC(=C(C=C2)C)NC3=NC=CC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C26H30N6O3/c1-3-35-25(34)19-9-13-32(14-10-19)17-24(33)29-21-7-6-18(2)23(15-21)31-26-28-12-8-22(30-26)20-5-4-11-27-16-20/h4-8,11-12,15-16,19H,3,9-10,13-14,17H2,1-2H3,(H,29,33)(H,28,30,31)