(phenylmethyl) 1-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl 1-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C26H32Cl2N2O3 MolecularWeight: 491.44988

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC(N(C1)C(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H32Cl2N2O3/c27-15-18-29(19-16-28)23-13-11-21(12-14-23)8-4-10-25(31)30-17-5-9-24(30)26(32)33-20-22-6-2-1-3-7-22/h1-3,6-7,11-14,24H,4-5,8-10,15-20H2