[4-[(2-ethylphenyl)amino]-3-(prop-2-enylcarbamoyl)quinolin-8-yl]methyl ethanoate

Systemtic Name: [4-[(2-ethylphenyl)amino]-3-(prop-2-enylcarbamoyl)quinolin-8-yl]methyl ethanoate Openeye Name: [3-(allylcarbamoyl)-4-(2-ethylanilino)-8-quinolyl]methyl acetate CAS Name: acetic acid [4-(2-ethylanilino)-3-[oxo-(prop-2-enylamino)methyl]-8-quinolinyl]methyl ester IUPAC Name: [4-(2-ethylanilino)-3-(prop-2-enylcarbamoyl)quinolin-8-yl]methyl acetate Traditional Name: acetic acid [3-(allylcarbamoyl)-4-(2-ethylanilino)-8-quinolyl]methyl ester Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C3C=CC=C(C3=NC=C2C(=O)NCC=C)COC(=O)C

Isomeric SMILES

CCC1=CC=CC=C1NC2=C3C=CC=C(C3=NC=C2C(=O)NCC=C)COC(=O)C

InChI

InChI=1S/C24H25N3O3/c1-4-13-25-24(29)20-14-26-22-18(15-30-16(3)28)10-8-11-19(22)23(20)27-21-12-7-6-9-17(21)5-2/h4,6-12,14H,1,5,13,15H2,2-3H3,(H,25,29)(H,26,27)