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

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] (E)-3-(4-isopropylphenyl)prop-2-enoate CAS Name: (E)-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)-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-3-p-cumenylacrylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5/c1-16(2)18-7-4-17(5-8-18)6-11-23(26)29-15-22(25)24-19-9-10-20-21(14-19)28-13-3-12-27-20/h4-11,14,16H,3,12-13,15H2,1-2H3,(H,24,25)/b11-6+