[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C29H26N2O3 MolecularWeight: 450.52834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)COC(=O)C=CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)COC(=O)/C=C/C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C29H26N2O3/c32-27(22-34-28(33)17-16-26-14-7-13-25-15-8-19-30-29(25)26)31(21-24-11-5-2-6-12-24)20-18-23-9-3-1-4-10-23/h1-17,19H,18,20-22H2/b17-16+