diethyl 2-acetamido-2-[[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]methyl]propanedioate CAS Name: 2-acetamido-2-[[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]methyl]propanedioate Traditional Name: 2-acetamido-2-[[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]methyl]malonic acid diethyl ester Formula: C22H29Cl2N3O5 MolecularWeight: 486.38876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)N(CCCl)CCCl)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)N(CCCl)CCCl)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C22H29Cl2N3O5/c1-4-31-20(29)22(26-15(3)28,21(30)32-5-2)13-16-14-25-19-7-6-17(12-18(16)19)27(10-8-23)11-9-24/h6-7,12,14,25H,4-5,8-11,13H2,1-3H3,(H,26,28)