[3-(2-acetamidoethyl)-1H-indol-5-yl] 3-[3,4-bis(oxidanyl)phenyl]-2-diazanyl-2-methyl-propanoate

Systemtic Name: [3-(2-acetamidoethyl)-1H-indol-5-yl] 3-[3,4-bis(oxidanyl)phenyl]-2-diazanyl-2-methyl-propanoate Openeye Name: [3-(2-acetamidoethyl)-1H-indol-5-yl] 3-(3,4-dihydroxyphenyl)-2-hydrazino-2-methyl-propanoate CAS Name: 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid [3-(2-acetamidoethyl)-1H-indol-5-yl] ester IUPAC Name: [3-(2-acetamidoethyl)-1H-indol-5-yl] 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate Traditional Name: 3-(3,4-dihydroxyphenyl)-2-hydrazino-2-methyl-propionic acid [3-(2-acetamidoethyl)-1H-indol-5-yl] ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC(=O)C(C)(CC3=CC(=C(C=C3)O)O)NN

Isomeric SMILES

CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC(=O)C(C)(CC3=CC(=C(C=C3)O)O)NN

InChI

InChI=1S/C22H26N4O5/c1-13(27)24-8-7-15-12-25-18-5-4-16(10-17(15)18)31-21(30)22(2,26-23)11-14-3-6-19(28)20(29)9-14/h3-6,9-10,12,25-26,28-29H,7-8,11,23H2,1-2H3,(H,24,27)