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

Systemtic Name: propan-2-yl (2S)-2-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C16H24Cl2N2O2 MolecularWeight: 347.27996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24Cl2N2O2/c1-12(2)22-16(21)15(19)11-13-3-5-14(6-4-13)20(9-7-17)10-8-18/h3-6,12,15H,7-11,19H2,1-2H3/t15-/m0/s1