ethyl 2-[[4-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoylamino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[4-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoylamino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[4-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoylamino]piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-[[3-(2,4-dimethoxy-5-pyrimidinyl)-1-oxoprop-2-enyl]amino]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoylamino]piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-[[3-(2,4-dimethoxypyrimidin-5-yl)acryloyl]amino]isonipecotoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C26H33N5O6 MolecularWeight: 511.57012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)C=CC3=CN=C(N=C3OC)OC

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)C=CC3=CN=C(N=C3OC)OC

InChI

InChI=1S/C26H33N5O6/c1-4-37-23(33)20(16-18-8-6-5-7-9-18)29-24(34)26(12-14-27-15-13-26)31-21(32)11-10-19-17-28-25(36-3)30-22(19)35-2/h5-11,17,20,27H,4,12-16H2,1-3H3,(H,29,34)(H,31,32)