[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] (E)-3-(2-methylphenyl)prop-2-enoate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] (E)-3-(o-tolyl)prop-2-enoate CAS Name: (E)-3-(2-methylphenyl)-2-propenoic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(o-tolyl)acrylic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C=CC1=CC=CC=C1C

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)/C=C/C1=CC=CC=C1C

InChI

InChI=1S/C16H21NO3/c1-4-13(3)17-15(18)11-20-16(19)10-9-14-8-6-5-7-12(14)2/h5-10,13H,4,11H2,1-3H3,(H,17,18)/b10-9+/t13-/m0/s1