[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(2-methoxyphenyl)-2-phenyl-prop-2-enoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(2-methoxyphenyl)-2-phenyl-prop-2-enoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] (E)-3-(2-methoxyphenyl)-2-phenyl-prop-2-enoate CAS Name: (E)-3-(2-methoxyphenyl)-2-phenyl-2-propenoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate Traditional Name: (E)-3-(2-methoxyphenyl)-2-phenyl-acrylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C(=CC2=CC=CC=C2OC)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)/C(=C/C2=CC=CC=C2OC)/C3=CC=CC=C3

InChI

InChI=1S/C25H29NO4/c1-19(24(27)26-16-10-3-4-11-17-26)30-25(28)22(20-12-6-5-7-13-20)18-21-14-8-9-15-23(21)29-2/h5-9,12-15,18-19H,3-4,10-11,16-17H2,1-2H3/b22-18+