ethyl (E)-4-[[2-(azepan-1-ylcarbonyl)phenyl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[2-(azepan-1-ylcarbonyl)phenyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[2-(azepane-1-carbonyl)anilino]-4-oxo-but-2-enoate CAS Name: (E)-4-[2-[1-azepanyl(oxo)methyl]anilino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[2-(azepane-1-carbonyl)anilino]-4-oxobut-2-enoate Traditional Name: (E)-4-[2-(azepane-1-carbonyl)anilino]-4-keto-but-2-enoic acid ethyl ester Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC1=CC=CC=C1C(=O)N2CCCCCC2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC1=CC=CC=C1C(=O)N2CCCCCC2

InChI

InChI=1S/C19H24N2O4/c1-2-25-18(23)12-11-17(22)20-16-10-6-5-9-15(16)19(24)21-13-7-3-4-8-14-21/h5-6,9-12H,2-4,7-8,13-14H2,1H3,(H,20,22)/b12-11+