ethyl 6-butyl-4-oxidanylidene-3-(phenylmethyl)-1H-quinoline-2-carboxylate

Systemtic Name: ethyl 6-butyl-4-oxidanylidene-3-(phenylmethyl)-1H-quinoline-2-carboxylate Openeye Name: ethyl 3-benzyl-6-butyl-4-oxo-1H-quinoline-2-carboxylate CAS Name: 6-butyl-4-oxo-3-(phenylmethyl)-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-6-butyl-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 3-benzyl-6-butyl-4-keto-1H-quinoline-2-carboxylic acid ethyl ester Formula: C23H25NO3 MolecularWeight: 363.4495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C(C2=O)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C(C2=O)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H25NO3/c1-3-5-9-17-12-13-20-18(14-17)22(25)19(15-16-10-7-6-8-11-16)21(24-20)23(26)27-4-2/h6-8,10-14H,3-5,9,15H2,1-2H3,(H,24,25)