methyl (E)-6-[4-[[(cyanoamino)-phenoxy-methylidene]amino]phenyl]-6-pyridin-3-yl-hex-5-enoate

Systemtic Name: methyl (E)-6-[4-[[(cyanoamino)-phenoxy-methylidene]amino]phenyl]-6-pyridin-3-yl-hex-5-enoate Openeye Name: methyl (E)-6-[4-[[(cyanoamino)-phenoxy-methylene]amino]phenyl]-6-(3-pyridyl)hex-5-enoate CAS Name: (E)-6-[4-[[(cyanoamino)-phenoxymethylidene]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[4-[[(cyanoamino)-phenoxymethylidene]amino]phenyl]-6-pyridin-3-ylhex-5-enoate Traditional Name: (E)-6-[4-[[(cyanoamino)-phenoxy-methylene]amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid methyl ester Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=C(C1=CC=C(C=C1)N=C(NC#N)OC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

COC(=O)CCC/C=C(\C1=CC=C(C=C1)N=C(NC#N)OC2=CC=CC=C2)/C3=CN=CC=C3

InChI

InChI=1S/C26H24N4O3/c1-32-25(31)12-6-5-11-24(21-8-7-17-28-18-21)20-13-15-22(16-14-20)30-26(29-19-27)33-23-9-3-2-4-10-23/h2-4,7-11,13-18H,5-6,12H2,1H3,(H,29,30)/b24-11+