hexyl 2-azanyl-3-[3-[bis(2-chloroethyl)amino]-4-methoxy-phenyl]propanoate

Systemtic Name: hexyl 2-azanyl-3-[3-[bis(2-chloroethyl)amino]-4-methoxy-phenyl]propanoate Openeye Name: hexyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxy-phenyl]propanoate CAS Name: 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoic acid hexyl ester IUPAC Name: hexyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxyphenyl]propanoate Traditional Name: 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-methoxy-phenyl]propionic acid hexyl ester Formula: C20H32Cl2N2O3 MolecularWeight: 419.38568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CC1=CC(=C(C=C1)OC)N(CCCl)CCCl)N

Isomeric SMILES

CCCCCCOC(=O)C(CC1=CC(=C(C=C1)OC)N(CCCl)CCCl)N

InChI

InChI=1S/C20H32Cl2N2O3/c1-3-4-5-6-13-27-20(25)17(23)14-16-7-8-19(26-2)18(15-16)24(11-9-21)12-10-22/h7-8,15,17H,3-6,9-14,23H2,1-2H3