tert-butyl 5-[[4-(2-oxidanylethanoyl)piperazin-1-yl]methyl]-2-(2-oxidanylidene-1H-quinolin-3-yl)indole-1-carboxylate

Systemtic Name: tert-butyl 5-[[4-(2-oxidanylethanoyl)piperazin-1-yl]methyl]-2-(2-oxidanylidene-1H-quinolin-3-yl)indole-1-carboxylate Openeye Name: tert-butyl 5-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate CAS Name: 5-[[4-(2-hydroxy-1-oxoethyl)-1-piperazinyl]methyl]-2-(2-oxo-1H-quinolin-3-yl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate Traditional Name: 5-[(4-glycoloylpiperazino)methyl]-2-(2-keto-1H-quinolin-3-yl)indole-1-carboxylic acid tert-butyl ester Formula: C29H32N4O5 MolecularWeight: 516.58818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)CN3CCN(CC3)C(=O)CO)C=C1C4=CC5=CC=CC=C5NC4=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)CN3CCN(CC3)C(=O)CO)C=C1C4=CC5=CC=CC=C5NC4=O

InChI

InChI=1S/C29H32N4O5/c1-29(2,3)38-28(37)33-24-9-8-19(17-31-10-12-32(13-11-31)26(35)18-34)14-21(24)16-25(33)22-15-20-6-4-5-7-23(20)30-27(22)36/h4-9,14-16,34H,10-13,17-18H2,1-3H3,(H,30,36)