O2-(2-diethylaminoethyl) O1-hexan-2-yl 3-azanylbenzene-1,2-dicarboxylate hydrochloride

Systemtic Name: O2-(2-diethylaminoethyl) O1-hexan-2-yl 3-azanylbenzene-1,2-dicarboxylate hydrochloride Openeye Name: O2-(2-diethylaminoethyl) O1-(1-methylpentyl) 3-aminobenzene-1,2-dicarboxylate hydrochloride CAS Name: 3-aminobenzene-1,2-dicarboxylic acid O2-(2-diethylaminoethyl) ester O1-hexan-2-yl ester hydrochloride IUPAC Name: 2-O-(2-diethylaminoethyl) 1-O-hexan-2-yl 3-aminobenzene-1,2-dicarboxylate hydrochloride Traditional Name: 3-aminobenzene-1,2-dicarboxylic acid O2-(2-diethylaminoethyl) ester O1-(1-methylpentyl) ester hydrochloride Formula: C20H33ClN2O4 MolecularWeight: 400.94002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)OC(=O)C1=C(C(=CC=C1)N)C(=O)OCCN(CC)CC.Cl

Isomeric SMILES

CCCCC(C)OC(=O)C1=C(C(=CC=C1)N)C(=O)OCCN(CC)CC.Cl

InChI

InChI=1S/C20H32N2O4.ClH/c1-5-8-10-15(4)26-19(23)16-11-9-12-17(21)18(16)20(24)25-14-13-22(6-2)7-3;/h9,11-12,15H,5-8,10,13-14,21H2,1-4H3;1H