quinolin-8-ylmethyl 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate

Systemtic Name: quinolin-8-ylmethyl 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: 8-quinolylmethyl 3-(4-butyl-3-oxo-quinoxalin-2-yl)propanoate CAS Name: 3-(4-butyl-3-oxo-2-quinoxalinyl)propanoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid 8-quinolylmethyl ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C25H25N3O3/c1-2-3-16-28-22-12-5-4-11-20(22)27-21(25(28)30)13-14-23(29)31-17-19-9-6-8-18-10-7-15-26-24(18)19/h4-12,15H,2-3,13-14,16-17H2,1H3