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

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3-methoxyphenyl)-2-propenoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3-methoxyphenyl)acrylic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C(=CC2=CC(=CC=C2)OC)C#N

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)OC(=O)/C(=C/C2=CC(=CC=C2)OC)/C#N

InChI

InChI=1S/C21H26N2O4/c1-15(20(24)23-18-9-5-3-4-6-10-18)27-21(25)17(14-22)12-16-8-7-11-19(13-16)26-2/h7-8,11-13,15,18H,3-6,9-10H2,1-2H3,(H,23,24)/b17-12+/t15-/m1/s1