[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-methylphenyl)prop-2-enoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-methylphenyl)prop-2-enoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] (E)-3-(m-tolyl)prop-2-enoate CAS Name: (E)-3-(3-methylphenyl)-2-propenoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (E)-3-(3-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(m-tolyl)acrylic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)OC(C)C(=O)NC2CCCCCC2

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)O[C@H](C)C(=O)NC2CCCCCC2

InChI

InChI=1S/C20H27NO3/c1-15-8-7-9-17(14-15)12-13-19(22)24-16(2)20(23)21-18-10-5-3-4-6-11-18/h7-9,12-14,16,18H,3-6,10-11H2,1-2H3,(H,21,23)/b13-12+/t16-/m1/s1