2-diethylaminoethyl 3-[bis(2-chloroethyl)amino]-4-methyl-benzoate hydrochloride

Systemtic Name: 2-diethylaminoethyl 3-[bis(2-chloroethyl)amino]-4-methyl-benzoate hydrochloride Openeye Name: 2-diethylaminoethyl 3-[bis(2-chloroethyl)amino]-4-methyl-benzoate hydrochloride CAS Name: 3-[bis(2-chloroethyl)amino]-4-methylbenzoic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate hydrochloride Traditional Name: 3-[bis(2-chloroethyl)amino]-4-methyl-benzoic acid 2-diethylaminoethyl ester hydrochloride Formula: C18H29Cl3N2O2 MolecularWeight: 411.79406

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC(=C(C=C1)C)N(CCCl)CCCl.Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC(=C(C=C1)C)N(CCCl)CCCl.Cl

InChI

InChI=1S/C18H28Cl2N2O2.ClH/c1-4-21(5-2)12-13-24-18(23)16-7-6-15(3)17(14-16)22(10-8-19)11-9-20;/h6-7,14H,4-5,8-13H2,1-3H3;1H