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

Systemtic Name: (phenylmethyl) 2-azanyl-3-[3-[bis(2-chloroethyl)amino]-4-methoxy-phenyl]propanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C21H26Cl2N2O3 MolecularWeight: 425.34874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)N)N(CCCl)CCCl

Isomeric SMILES

COC1=C(C=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)N)N(CCCl)CCCl

InChI

InChI=1S/C21H26Cl2N2O3/c1-27-20-8-7-17(14-19(20)25(11-9-22)12-10-23)13-18(24)21(26)28-15-16-5-3-2-4-6-16/h2-8,14,18H,9-13,15,24H2,1H3