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

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C=CC(=O)OCC(=O)NCCCC3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)/C=C/C(=O)OCC(=O)NCCCC3=CC=CC=C3)OC1

InChI

InChI=1S/C23H25NO5/c25-22(24-13-4-8-18-6-2-1-3-7-18)17-29-23(26)12-10-19-9-11-20-21(16-19)28-15-5-14-27-20/h1-3,6-7,9-12,16H,4-5,8,13-15,17H2,(H,24,25)/b12-10+