diethyl 4-[3-(4-methoxyphenyl)carbonyloxypropylamino]quinolin-1-ium-3,6-dicarboxylate

Systemtic Name: diethyl 4-[3-(4-methoxyphenyl)carbonyloxypropylamino]quinolin-1-ium-3,6-dicarboxylate Openeye Name: diethyl 4-[3-(4-methoxybenzoyl)oxypropylamino]quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-[3-[(4-methoxyphenyl)-oxomethoxy]propylamino]quinolin-1-ium-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[3-(4-methoxybenzoyl)oxypropylamino]quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-(3-p-anisoyloxypropylamino)quinolin-1-ium-3,6-dicarboxylic acid diethyl ester Formula: C26H29N2O7+ MolecularWeight: 481.51766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCCCOC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCCCOC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C26H28N2O7/c1-4-33-25(30)18-9-12-22-20(15-18)23(21(16-28-22)26(31)34-5-2)27-13-6-14-35-24(29)17-7-10-19(32-3)11-8-17/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,27,28)/p+1