methyl 2-[[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]amino]-2-methyl-propanoate

Systemtic Name: methyl 2-[[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]amino]-2-methyl-propanoate Openeye Name: methyl 2-[[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]amino]-2-methyl-propanoate CAS Name: 2-[[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-oxoprop-2-enyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]amino]-2-methylpropanoate Traditional Name: 2-[[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acryloyl]amino]-2-methyl-propionic acid methyl ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)C=CC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)/C=C/C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C17H21NO5/c1-17(2,16(20)21-3)18-15(19)8-6-12-5-7-13-14(11-12)23-10-4-9-22-13/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)/b8-6+