[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate

Systemtic Name: [1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate Openeye Name: [1-(4-chlorobenzoyl)-2-oxo-azepan-3-yl] (E)-3-(5-methyl-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-methyl-2-furanyl)-2-propenoic acid [1-[(4-chlorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-chlorobenzoyl)-2-oxoazepan-3-yl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-methyl-2-furyl)acrylic acid [1-(4-chlorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=CC(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(O1)/C=C/C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClNO5/c1-14-5-10-17(27-14)11-12-19(24)28-18-4-2-3-13-23(21(18)26)20(25)15-6-8-16(22)9-7-15/h5-12,18H,2-4,13H2,1H3/b12-11+