ethyl (2E)-2-(azepan-2-ylidene)-3-oxidanylidene-3-phenyl-propanoate

Systemtic Name: ethyl (2E)-2-(azepan-2-ylidene)-3-oxidanylidene-3-phenyl-propanoate Openeye Name: ethyl (2E)-2-(azepan-2-ylidene)-3-oxo-3-phenyl-propanoate CAS Name: (2E)-2-(2-azepanylidene)-3-oxo-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-(azepan-2-ylidene)-3-oxo-3-phenylpropanoate Traditional Name: (2E)-2-(azepan-2-ylidene)-3-keto-3-phenyl-propionic acid ethyl ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1CCCCCN1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C/1\CCCCCN1)/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO3/c1-2-21-17(20)15(14-11-7-4-8-12-18-14)16(19)13-9-5-3-6-10-13/h3,5-6,9-10,18H,2,4,7-8,11-12H2,1H3/b15-14+