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

Systemtic Name: [(2R)-1-oxidanylidene-1-(propylamino)propan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(propylamino)ethyl] (E)-3-(o-tolyl)prop-2-enoate CAS Name: (E)-3-(2-methylphenyl)-2-propenoic acid [(2R)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(propylamino)propan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(o-tolyl)acrylic acid [(1R)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C=CC1=CC=CC=C1C

Isomeric SMILES

CCCNC(=O)[C@@H](C)OC(=O)/C=C/C1=CC=CC=C1C

InChI

InChI=1S/C16H21NO3/c1-4-11-17-16(19)13(3)20-15(18)10-9-14-8-6-5-7-12(14)2/h5-10,13H,4,11H2,1-3H3,(H,17,19)/b10-9+/t13-/m1/s1