[2-oxidanylidene-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [2-keto-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] ester Formula: C27H22N2O5 MolecularWeight: 454.47398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)N2C(COC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)N2C(COC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C27H22N2O5/c1-32-22-13-11-19(12-14-22)15-21(16-28)27(31)34-18-26(30)29-23-9-5-6-10-25(23)33-17-24(29)20-7-3-2-4-8-20/h2-15,24H,17-18H2,1H3/b21-15+