[2-(azepan-1-yl)-2-oxidanylidene-ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (Z)-2-acetamido-3-phenyl-2-propenoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (Z)-2-acetamido-3-phenyl-acrylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=CC=C1)C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C19H24N2O4/c1-15(22)20-17(13-16-9-5-4-6-10-16)19(24)25-14-18(23)21-11-7-2-3-8-12-21/h4-6,9-10,13H,2-3,7-8,11-12,14H2,1H3,(H,20,22)/b17-13-