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

Systemtic Name: [3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] (E)-3-(2-propanoyloxyphenyl)prop-2-enoate hydrochloride Openeye Name: [3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] (E)-3-(2-propanoyloxyphenyl)prop-2-enoate hydrochloride CAS Name: (E)-3-[2-(1-oxopropoxy)phenyl]-2-propenoic acid [3-(3-ethyl-1-methyl-3-azepanyl)phenyl] ester hydrochloride IUPAC Name: [3-(3-ethyl-1-methylazepan-3-yl)phenyl] (E)-3-(2-propanoyloxyphenyl)prop-2-enoate hydrochloride Traditional Name: (E)-3-(2-propionyloxyphenyl)acrylic acid [3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] ester hydrochloride Formula: C27H34ClNO4 MolecularWeight: 472.01616

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H33NO4.ClH/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;1H/b16-15+;