ethyl 1-[3-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl]piperidine-3-carboxylate CAS Name: 1-[3-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-3-carboxylate Traditional Name: 1-[3-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl]nipecotic acid ethyl ester Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)C(=O)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(\C#N)/C(=O)OC

InChI

InChI=1S/C22H24N4O5/c1-4-31-22(29)15-8-6-9-25(13-15)19-17(11-16(12-23)21(28)30-3)20(27)26-10-5-7-14(2)18(26)24-19/h5,7,10-11,15H,4,6,8-9,13H2,1-3H3/b16-11+