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

Systemtic Name: butoxycarbonyl 2-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate Openeye Name: butoxycarbonyl 2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate CAS Name: 2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid [butoxy(oxo)methyl] ester IUPAC Name: butoxycarbonyl 2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate Traditional Name: 2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propionic acid butoxycarbonyl ester Formula: C18H26Cl2N2O4 MolecularWeight: 405.31604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26Cl2N2O4/c1-2-3-12-25-18(24)26-17(23)16(21)13-14-4-6-15(7-5-14)22(10-8-19)11-9-20/h4-7,16H,2-3,8-13,21H2,1H3