ethyl 4-(2-phenoxyethyl)-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(2-phenoxyethyl)-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(2-phenoxyethyl)-1-[(E)-3-(3-pyridyl)prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]-4-(2-phenoxyethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenoxyethyl)-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 4-(2-phenoxyethyl)-1-[(E)-3-(3-pyridyl)acryloyl]isonipecotic acid ethyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C=CC2=CN=CC=C2)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)/C=C/C2=CN=CC=C2)CCOC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O4/c1-2-29-23(28)24(14-18-30-21-8-4-3-5-9-21)12-16-26(17-13-24)22(27)11-10-20-7-6-15-25-19-20/h3-11,15,19H,2,12-14,16-18H2,1H3/b11-10+