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

Systemtic Name: [(2S)-1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [(1S)-2-(dibenzylamino)-1-methyl-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [(2S)-1-[bis(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(dibenzylamino)-1-oxopropan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [(1S)-2-(dibenzylamino)-2-keto-1-methyl-ethyl] ester Formula: C29H26N2O3 MolecularWeight: 450.52834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)OC(=O)C=CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C29H26N2O3/c1-22(34-27(32)18-17-26-15-8-14-25-16-9-19-30-28(25)26)29(33)31(20-23-10-4-2-5-11-23)21-24-12-6-3-7-13-24/h2-19,22H,20-21H2,1H3/b18-17+/t22-/m0/s1