[4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(E)-2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2CCCCC2)OC(=O)C3=CC=NC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2CCCCC2)OC(=O)C3=CC=NC=C3

InChI

InChI=1S/C23H23N3O4/c1-29-21-14-16(7-8-20(21)30-23(28)17-9-11-25-12-10-17)13-18(15-24)22(27)26-19-5-3-2-4-6-19/h7-14,19H,2-6H2,1H3,(H,26,27)/b18-13+