tert-butyl 5-(hydroxymethyl)-2-(2-oxidanylidene-1H-quinolin-3-yl)indole-1-carboxylate

Systemtic Name: tert-butyl 5-(hydroxymethyl)-2-(2-oxidanylidene-1H-quinolin-3-yl)indole-1-carboxylate Openeye Name: tert-butyl 5-(hydroxymethyl)-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate CAS Name: 5-(hydroxymethyl)-2-(2-oxo-1H-quinolin-3-yl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(hydroxymethyl)-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate Traditional Name: 2-(2-keto-1H-quinolin-3-yl)-5-methylol-indole-1-carboxylic acid tert-butyl ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)CO)C=C1C3=CC4=CC=CC=C4NC3=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)CO)C=C1C3=CC4=CC=CC=C4NC3=O

InChI

InChI=1S/C23H22N2O4/c1-23(2,3)29-22(28)25-19-9-8-14(13-26)10-16(19)12-20(25)17-11-15-6-4-5-7-18(15)24-21(17)27/h4-12,26H,13H2,1-3H3,(H,24,27)