[2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H21NO5/c20-17(19-9-3-1-2-4-10-19)12-22-18(21)8-6-14-5-7-15-16(11-14)24-13-23-15/h5-8,11H,1-4,9-10,12-13H2/b8-6+