ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(2-formamido-3-phenyl-propanoyl)amino]propanoate

Systemtic Name: ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(2-formamido-3-phenyl-propanoyl)amino]propanoate Openeye Name: ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(2-formamido-3-phenyl-propanoyl)amino]propanoate CAS Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(2-formamido-1-oxo-3-phenylpropyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(2-formamido-3-phenylpropanoyl)amino]propanoate Traditional Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(2-formamido-3-phenyl-propanoyl)amino]propionic acid ethyl ester Formula: C25H31Cl2N3O4 MolecularWeight: 508.43734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(CC2=CC=CC=C2)NC=O

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(CC2=CC=CC=C2)NC=O

InChI

InChI=1S/C25H31Cl2N3O4/c1-2-34-25(33)23(17-20-8-10-21(11-9-20)30(14-12-26)15-13-27)29-24(32)22(28-18-31)16-19-6-4-3-5-7-19/h3-11,18,22-23H,2,12-17H2,1H3,(H,28,31)(H,29,32)