ethyl 6-chloranyl-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-4-[(E)-pent-1-enyl]quinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-4-[(E)-pent-1-enyl]quinoline-3-carboxylate Openeye Name: ethyl 6-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-4-[(E)-pent-1-enyl]quinoline-3-carboxylate CAS Name: 6-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-4-[(E)-pent-1-enyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-4-[(E)-pent-1-enyl]quinoline-3-carboxylate Traditional Name: 6-chloro-2-keto-1-p-anisyl-4-[(E)-pent-1-enyl]quinoline-3-carboxylic acid ethyl ester Formula: C25H26ClNO4 MolecularWeight: 439.93124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC1=C(C(=O)N(C2=C1C=C(C=C2)Cl)CC3=CC=C(C=C3)OC)C(=O)OCC

Isomeric SMILES

CCC/C=C/C1=C(C(=O)N(C2=C1C=C(C=C2)Cl)CC3=CC=C(C=C3)OC)C(=O)OCC

InChI

InChI=1S/C25H26ClNO4/c1-4-6-7-8-20-21-15-18(26)11-14-22(21)27(24(28)23(20)25(29)31-5-2)16-17-9-12-19(30-3)13-10-17/h7-15H,4-6,16H2,1-3H3/b8-7+