[3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] (E)-3-(2-propanoyloxyphenyl)prop-2-enoate

Systemtic Name: [3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] (E)-3-(2-propanoyloxyphenyl)prop-2-enoate Openeye Name: [3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] (E)-3-(2-propanoyloxyphenyl)prop-2-enoate CAS Name: (E)-3-[2-(1-oxopropoxy)phenyl]-2-propenoic acid [3-(3-ethyl-1-methyl-3-azepanyl)phenyl] ester IUPAC Name: [3-(3-ethyl-1-methylazepan-3-yl)phenyl] (E)-3-(2-propanoyloxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2-propionyloxyphenyl)acrylic acid [3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] ester Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=CC=C1C=CC(=O)OC2=CC=CC(=C2)C3(CCCCN(C3)C)CC

Isomeric SMILES

CCC(=O)OC1=CC=CC=C1/C=C/C(=O)OC2=CC=CC(=C2)C3(CCCCN(C3)C)CC

InChI

InChI=1S/C27H33NO4/c1-4-25(29)32-24-14-7-6-11-21(24)15-16-26(30)31-23-13-10-12-22(19-23)27(5-2)17-8-9-18-28(3)20-27/h6-7,10-16,19H,4-5,8-9,17-18,20H2,1-3H3/b16-15+