diethyl 2-acetamido-2-[[7-[bis(2-hydroxyethyl)amino]-1H-indol-3-yl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[7-[bis(2-hydroxyethyl)amino]-1H-indol-3-yl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[7-[bis(2-hydroxyethyl)amino]-1H-indol-3-yl]methyl]propanedioate CAS Name: 2-acetamido-2-[[7-[bis(2-hydroxyethyl)amino]-1H-indol-3-yl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[7-[bis(2-hydroxyethyl)amino]-1H-indol-3-yl]methyl]propanedioate Traditional Name: 2-acetamido-2-[[7-[bis(2-hydroxyethyl)amino]-1H-indol-3-yl]methyl]malonic acid diethyl ester Formula: C22H31N3O7 MolecularWeight: 449.49744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CNC2=C1C=CC=C2N(CCO)CCO)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CNC2=C1C=CC=C2N(CCO)CCO)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C22H31N3O7/c1-4-31-20(29)22(24-15(3)28,21(30)32-5-2)13-16-14-23-19-17(16)7-6-8-18(19)25(9-11-26)10-12-27/h6-8,14,23,26-27H,4-5,9-13H2,1-3H3,(H,24,28)