methyl 4-[[(6E)-6-(6-azanyl-5-cyano-4-piperidin-3-yl-1H-pyridin-2-ylidene)-5-oxidanylidene-cyclohexa-1,3-dien-1-yl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[(6E)-6-(6-azanyl-5-cyano-4-piperidin-3-yl-1H-pyridin-2-ylidene)-5-oxidanylidene-cyclohexa-1,3-dien-1-yl]oxymethyl]benzoate Openeye Name: methyl 4-[[(6E)-6-[6-amino-5-cyano-4-(3-piperidyl)-1H-pyridin-2-ylidene]-5-oxo-cyclohexa-1,3-dien-1-yl]oxymethyl]benzoate CAS Name: 4-[[(6E)-6-[6-amino-5-cyano-4-(3-piperidinyl)-1H-pyridin-2-ylidene]-5-oxo-1-cyclohexa-1,3-dienyl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(6E)-6-(6-amino-5-cyano-4-piperidin-3-yl-1H-pyridin-2-ylidene)-5-oxocyclohexa-1,3-dien-1-yl]oxymethyl]benzoate Traditional Name: 4-[[(6E)-6-[6-amino-5-cyano-4-(3-piperidyl)-1H-pyridin-2-ylidene]-5-keto-cyclohexa-1,3-dien-1-yl]oxymethyl]benzoic acid methyl ester Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=CC(=O)C2=C3C=C(C(=C(N3)N)C#N)C4CCCNC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC\2=CC=CC(=O)/C2=C/3\C=C(C(=C(N3)N)C#N)C4CCCNC4

InChI

InChI=1S/C26H26N4O4/c1-33-26(32)17-9-7-16(8-10-17)15-34-23-6-2-5-22(31)24(23)21-12-19(18-4-3-11-29-14-18)20(13-27)25(28)30-21/h2,5-10,12,18,29-30H,3-4,11,14-15,28H2,1H3/b24-21-