[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] (E)-2-cyano-3-(4-isopropylphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-propan-2-ylphenyl)-2-propenoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-cumenyl-acrylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C24H24N2O5/c1-16(2)18-6-4-17(5-7-18)12-19(14-25)24(28)31-15-23(27)26-20-8-9-21-22(13-20)30-11-3-10-29-21/h4-9,12-13,16H,3,10-11,15H2,1-2H3,(H,26,27)/b19-12+