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

Systemtic Name: hexyl (2S)-2-azanyl-3-[3-[bis(2-chloroethyl)amino]-4-oxidanyl-phenyl]propanoate Openeye Name: hexyl (2S)-2-amino-3-[3-[bis(2-chloroethyl)amino]-4-hydroxy-phenyl]propanoate CAS Name: (2S)-2-amino-3-[3-[bis(2-chloroethyl)amino]-4-hydroxyphenyl]propanoic acid hexyl ester IUPAC Name: hexyl (2S)-2-amino-3-[3-[bis(2-chloroethyl)amino]-4-hydroxyphenyl]propanoate Traditional Name: (2S)-2-amino-3-[3-[bis(2-chloroethyl)amino]-4-hydroxy-phenyl]propionic acid hexyl ester Formula: C19H30Cl2N2O3 MolecularWeight: 405.3591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30Cl2N2O3/c1-2-3-4-5-12-26-19(25)16(22)13-15-6-7-18(24)17(14-15)23(10-8-20)11-9-21/h6-7,14,16,24H,2-5,8-13,22H2,1H3/t16-/m0/s1