ethyl 4-ethoxy-3-iodanyl-5-[[3-[(4-oxidanylidene-1H-quinolin-2-yl)amino]propylamino]methyl]benzoate

Systemtic Name: ethyl 4-ethoxy-3-iodanyl-5-[[3-[(4-oxidanylidene-1H-quinolin-2-yl)amino]propylamino]methyl]benzoate Openeye Name: ethyl 4-ethoxy-3-iodo-5-[[3-[(4-oxo-1H-quinolin-2-yl)amino]propylamino]methyl]benzoate CAS Name: 4-ethoxy-3-iodo-5-[[3-[(4-oxo-1H-quinolin-2-yl)amino]propylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-ethoxy-3-iodo-5-[[3-[(4-oxo-1H-quinolin-2-yl)amino]propylamino]methyl]benzoate Traditional Name: 4-ethoxy-3-iodo-5-[[3-[(4-keto-1H-quinolin-2-yl)amino]propylamino]methyl]benzoic acid ethyl ester Formula: C24H28IN3O4 MolecularWeight: 549.40129

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1I)C(=O)OCC)CNCCCNC2=CC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCOC1=C(C=C(C=C1I)C(=O)OCC)CNCCCNC2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C24H28IN3O4/c1-3-31-23-17(12-16(13-19(23)25)24(30)32-4-2)15-26-10-7-11-27-22-14-21(29)18-8-5-6-9-20(18)28-22/h5-6,8-9,12-14,26H,3-4,7,10-11,15H2,1-2H3,(H2,27,28,29)