ethyl (4S)-6-(3-butoxy-3-oxidanylidene-propyl)-5-cyano-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4S)-6-(3-butoxy-3-oxidanylidene-propyl)-5-cyano-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-6-(3-butoxy-3-oxo-propyl)-5-cyano-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-6-(3-butoxy-3-oxopropyl)-5-cyano-2-phenyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(3-butoxy-3-oxopropyl)-5-cyano-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-(3-butoxy-3-keto-propyl)-5-cyano-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCC1=C(C(C(=C(N1)C2=CC=CC=C2)C(=O)OCC)C3=CN=CC=C3)C#N

Isomeric SMILES

CCCCOC(=O)CCC1=C([C@@H](C(=C(N1)C2=CC=CC=C2)C(=O)OCC)C3=CN=CC=C3)C#N

InChI

InChI=1S/C27H29N3O4/c1-3-5-16-34-23(31)14-13-22-21(17-28)24(20-12-9-15-29-18-20)25(27(32)33-4-2)26(30-22)19-10-7-6-8-11-19/h6-12,15,18,24,30H,3-5,13-14,16H2,1-2H3/t24-/m0/s1