[2-[(3-methyl-1-phenyl-butyl)amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-[(3-methyl-1-phenyl-butyl)amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-[(3-methyl-1-phenyl-butyl)amino]-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-keto-2-[(3-methyl-1-phenyl-butyl)amino]ethyl] ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)COC(=O)C=CC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)COC(=O)/C=C/C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C25H26N2O3/c1-18(2)16-22(19-8-4-3-5-9-19)27-23(28)17-30-24(29)14-13-21-11-6-10-20-12-7-15-26-25(20)21/h3-15,18,22H,16-17H2,1-2H3,(H,27,28)/b14-13+