methyl 2-[3-[(E)-2-(7-oxidanylideneazepan-2-yl)ethenyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[(E)-2-(7-oxidanylideneazepan-2-yl)ethenyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[(E)-2-(7-oxoazepan-2-yl)vinyl]phenyl]acetate CAS Name: 2-[3-[(E)-2-(7-oxo-2-azepanyl)ethenyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(E)-2-(7-oxoazepan-2-yl)ethenyl]phenyl]acetate Traditional Name: 2-[3-[(E)-2-(7-ketoazepan-2-yl)vinyl]phenyl]acetic acid methyl ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=CC(=C1)C=CC2CCCCC(=O)N2

Isomeric SMILES

COC(=O)CC1=CC=CC(=C1)/C=C/C2CCCCC(=O)N2

InChI

InChI=1S/C17H21NO3/c1-21-17(20)12-14-6-4-5-13(11-14)9-10-15-7-2-3-8-16(19)18-15/h4-6,9-11,15H,2-3,7-8,12H2,1H3,(H,18,19)/b10-9+