(phenylmethyl) 2-[[3-[3-[bis(2-chloroethyl)amino]phenyl]-1-ethoxy-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[3-[3-[bis(2-chloroethyl)amino]phenyl]-1-ethoxy-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[1-[[3-[bis(2-chloroethyl)amino]phenyl]methyl]-2-ethoxy-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[3-[3-[bis(2-chloroethyl)amino]phenyl]-1-ethoxy-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-[3-[bis(2-chloroethyl)amino]phenyl]-1-ethoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[1-[3-[bis(2-chloroethyl)amino]benzyl]-2-ethoxy-2-keto-ethyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C28H35Cl2N3O5 MolecularWeight: 564.5006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=CC=C1)N(CCCl)CCCl)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CC1=CC(=CC=C1)N(CCCl)CCCl)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H35Cl2N3O5/c1-2-37-27(35)24(19-22-10-6-11-23(18-22)32(16-13-29)17-14-30)31-26(34)25-12-7-15-33(25)28(36)38-20-21-8-4-3-5-9-21/h3-6,8-11,18,24-25H,2,7,12-17,19-20H2,1H3,(H,31,34)