[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [(1S)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [(1S)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C=CC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)/C=C/C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C22H17N3O3/c1-15(22(27)25-19-9-2-5-16(13-19)14-23)28-20(26)11-10-18-7-3-6-17-8-4-12-24-21(17)18/h2-13,15H,1H3,(H,25,27)/b11-10+/t15-/m0/s1