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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)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-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)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-(propargylamino)ethyl] ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C=CC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

C#CCNC(=O)COC(=O)/C=C/C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C17H17NO5/c1-2-8-18-16(19)12-23-17(20)7-5-13-4-6-14-15(11-13)22-10-3-9-21-14/h1,4-7,11H,3,8-10,12H2,(H,18,19)/b7-5+