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

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] (E)-3-(2-methoxyphenyl)-2-phenyl-prop-2-enoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] (E)-3-(2-methoxyphenyl)-2-phenyl-prop-2-enoate CAS Name: (E)-3-(2-methoxyphenyl)-2-phenyl-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-(2-methoxyphenyl)-2-phenylprop-2-enoate Traditional Name: (E)-3-(2-methoxyphenyl)-2-phenyl-acrylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C27H25NO6 MolecularWeight: 459.4905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=C(C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=CC=C1/C=C(\C2=CC=CC=C2)/C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C27H25NO6/c1-31-23-11-6-5-10-20(23)16-22(19-8-3-2-4-9-19)27(30)34-18-26(29)28-21-12-13-24-25(17-21)33-15-7-14-32-24/h2-6,8-13,16-17H,7,14-15,18H2,1H3,(H,28,29)/b22-16+