O3-ethyl O5-(3-pyridin-3-ylprop-2-ynyl) 2-[(E)-2-phenylethenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-(3-pyridin-3-ylprop-2-ynyl) 2-[(E)-2-phenylethenyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-[3-(3-pyridyl)prop-2-ynyl] 2-[(E)-styryl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(E)-2-phenylethenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[3-(3-pyridinyl)prop-2-ynyl] ester IUPAC Name: 3-O-ethyl 5-O-(3-pyridin-3-ylprop-2-ynyl) 2-[(E)-2-phenylethenyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(E)-styryl]-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[3-(3-pyridyl)prop-2-ynyl] ester Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC=C(C1)C(=O)OCC#CC2=CN=CC=C2)C=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC=C(C1)C(=O)OCC#CC2=CN=CC=C2)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H22N2O4/c1-2-30-25(29)22-16-21(18-27-23(22)13-12-19-8-4-3-5-9-19)24(28)31-15-7-11-20-10-6-14-26-17-20/h3-6,8-10,12-14,17-18,27H,2,15-16H2,1H3/b13-12+