methyl 2-[[bis(2-chloroethyl)amino-butoxy-phosphoryl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[bis(2-chloroethyl)amino-butoxy-phosphoryl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[bis(2-chloroethyl)amino-butoxy-phosphoryl]amino]-3-phenyl-propanoate CAS Name: 2-[[bis(2-chloroethyl)amino-butoxyphosphoryl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[bis(2-chloroethyl)amino-butoxyphosphoryl]amino]-3-phenylpropanoate Traditional Name: 2-[[bis(2-chloroethyl)amino-butoxy-phosphoryl]amino]-3-phenyl-propionic acid methyl ester Formula: C18H29Cl2N2O4P MolecularWeight: 439.313621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29Cl2N2O4P/c1-3-4-14-26-27(24,22(12-10-19)13-11-20)21-17(18(23)25-2)15-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3,(H,21,24)