[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C=CC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)/C=C/C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H20N2O3/c1-15-7-10-19(11-8-15)24-22(26)16(2)27-21(25)14-13-18-12-9-17-5-3-4-6-20(17)23-18/h3-14,16H,1-2H3,(H,24,26)/b14-13+/t16-/m0/s1