[(2S)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate

Systemtic Name: [(2S)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate Openeye Name: [(1S)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-diethoxyphenyl)-2-propenoic acid [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-diethoxyphenyl)acrylic acid [(1S)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H33NO5 MolecularWeight: 403.51182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)OC(C)C(=O)NC2CCCCCC2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)O[C@@H](C)C(=O)NC2CCCCCC2)OCC

InChI

InChI=1S/C23H33NO5/c1-4-27-20-14-12-18(16-21(20)28-5-2)13-15-22(25)29-17(3)23(26)24-19-10-8-6-7-9-11-19/h12-17,19H,4-11H2,1-3H3,(H,24,26)/b15-13+/t17-/m0/s1