methyl 5-[(E)-3-(7-oxidanylideneazepan-2-yl)prop-1-enyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(E)-3-(7-oxidanylideneazepan-2-yl)prop-1-enyl]furan-2-carboxylate Openeye Name: methyl 5-[(E)-3-(7-oxoazepan-2-yl)prop-1-enyl]furan-2-carboxylate CAS Name: 5-[(E)-3-(7-oxo-2-azepanyl)prop-1-enyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-3-(7-oxoazepan-2-yl)prop-1-enyl]furan-2-carboxylate Traditional Name: 5-[(E)-3-(7-ketoazepan-2-yl)prop-1-enyl]furan-2-carboxylic acid methyl ester Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)C=CCC2CCCCC(=O)N2

Isomeric SMILES

COC(=O)C1=CC=C(O1)/C=C/CC2CCCCC(=O)N2

InChI

InChI=1S/C15H19NO4/c1-19-15(18)13-10-9-12(20-13)7-4-6-11-5-2-3-8-14(17)16-11/h4,7,9-11H,2-3,5-6,8H2,1H3,(H,16,17)/b7-4+