[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 4-butoxybenzoate

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 4-butoxybenzoate Openeye Name: [2-oxo-2-(5-quinolylamino)ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-oxo-2-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)ethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-keto-2-(5-quinolylamino)ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC3=C2C=CC=N3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC3=C2C=CC=N3

InChI

InChI=1S/C22H22N2O4/c1-2-3-14-27-17-11-9-16(10-12-17)22(26)28-15-21(25)24-20-8-4-7-19-18(20)6-5-13-23-19/h4-13H,2-3,14-15H2,1H3,(H,24,25)