[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C=CC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)/C=C/C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H20N2O3/c1-16(22(26)23-15-17-7-3-2-4-8-17)27-21(25)14-13-19-12-11-18-9-5-6-10-20(18)24-19/h2-14,16H,15H2,1H3,(H,23,26)/b14-13+/t16-/m1/s1