[2-[(4-chloranyl-3-methyl-phenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-quinolin-8-ylethanoate

Systemtic Name: [2-[(4-chloranyl-3-methyl-phenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-quinolin-8-ylethanoate Openeye Name: [2-[4-chloro-N-(2-cyanoethyl)-3-methyl-anilino]-2-oxo-ethyl] 2-(8-quinolyl)acetate CAS Name: 2-(8-quinolinyl)acetic acid [2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] 2-quinolin-8-ylacetate Traditional Name: 2-(8-quinolyl)acetic acid [2-[4-chloro-N-(2-cyanoethyl)-3-methyl-anilino]-2-keto-ethyl] ester Formula: C23H20ClN3O3 MolecularWeight: 421.8762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCC#N)C(=O)COC(=O)CC2=CC=CC3=C2N=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCC#N)C(=O)COC(=O)CC2=CC=CC3=C2N=CC=C3)Cl

InChI

InChI=1S/C23H20ClN3O3/c1-16-13-19(8-9-20(16)24)27(12-4-10-25)21(28)15-30-22(29)14-18-6-2-5-17-7-3-11-26-23(17)18/h2-3,5-9,11,13H,4,12,14-15H2,1H3