2-dimethylaminoethyl 4-[bis(2-chloroethyl)amino]-3-butoxy-benzoate

Systemtic Name: 2-dimethylaminoethyl 4-[bis(2-chloroethyl)amino]-3-butoxy-benzoate Openeye Name: 2-dimethylaminoethyl 4-[bis(2-chloroethyl)amino]-3-butoxy-benzoate CAS Name: 4-[bis(2-chloroethyl)amino]-3-butoxybenzoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 4-[bis(2-chloroethyl)amino]-3-butoxybenzoate Traditional Name: 4-[bis(2-chloroethyl)amino]-3-butoxy-benzoic acid 2-dimethylaminoethyl ester Formula: C19H30Cl2N2O3 MolecularWeight: 405.3591

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(C)C)N(CCCl)CCCl

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(C)C)N(CCCl)CCCl

InChI

InChI=1S/C19H30Cl2N2O3/c1-4-5-13-25-18-15-16(19(24)26-14-12-22(2)3)6-7-17(18)23(10-8-20)11-9-21/h6-7,15H,4-5,8-14H2,1-3H3