[2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-oxo-2-[propyl(p-tolylmethyl)amino]ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-keto-2-[(4-methylbenzyl)-propyl-amino]ethyl] ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C)C(=O)COC(=O)C=CC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C)C(=O)COC(=O)/C=C/C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C25H26N2O3/c1-3-16-27(17-20-11-9-19(2)10-12-20)23(28)18-30-24(29)14-13-22-7-4-6-21-8-5-15-26-25(21)22/h4-15H,3,16-18H2,1-2H3/b14-13+