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

Systemtic Name: methyl 2-[[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 2-[[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]amino]benzoate CAS Name: 2-[[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]amino]benzoate Traditional Name: 2-[[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acryloyl]amino]benzoic acid methyl ester Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C=CC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H19NO5/c1-24-20(23)15-5-2-3-6-16(15)21-19(22)10-8-14-7-9-17-18(13-14)26-12-4-11-25-17/h2-3,5-10,13H,4,11-12H2,1H3,(H,21,22)/b10-8+