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

Systemtic Name: hexyl (2S)-2-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate Openeye Name: hexyl (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate CAS Name: (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid hexyl ester IUPAC Name: hexyl (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate Traditional Name: (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propionic acid hexyl ester Formula: C19H30Cl2N2O2 MolecularWeight: 389.3597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCOC(=O)[C@H](CC1=CC=C(C=C1)N(CCCl)CCCl)N

InChI

InChI=1S/C19H30Cl2N2O2/c1-2-3-4-5-14-25-19(24)18(22)15-16-6-8-17(9-7-16)23(12-10-20)13-11-21/h6-9,18H,2-5,10-15,22H2,1H3/t18-/m0/s1