methyl 3-[2-[2-tert-butyl-4-(phenylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethanoyl]-1H-indole-7-carboxylate

Systemtic Name: methyl 3-[2-[2-tert-butyl-4-(phenylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethanoyl]-1H-indole-7-carboxylate Openeye Name: methyl 3-[2-(4-benzoyl-2-tert-butyl-piperazin-1-yl)-2-oxo-acetyl]-1H-indole-7-carboxylate CAS Name: 3-[2-(4-benzoyl-2-tert-butyl-1-piperazinyl)-1,2-dioxoethyl]-1H-indole-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(4-benzoyl-2-tert-butylpiperazin-1-yl)-2-oxoacetyl]-1H-indole-7-carboxylate Traditional Name: 3-[2-(4-benzoyl-2-tert-butyl-piperazino)-2-keto-acetyl]-1H-indole-7-carboxylic acid methyl ester Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CN(CCN1C(=O)C(=O)C2=CNC3=C2C=CC=C3C(=O)OC)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1CN(CCN1C(=O)C(=O)C2=CNC3=C2C=CC=C3C(=O)OC)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O5/c1-27(2,3)21-16-29(24(32)17-9-6-5-7-10-17)13-14-30(21)25(33)23(31)20-15-28-22-18(20)11-8-12-19(22)26(34)35-4/h5-12,15,21,28H,13-14,16H2,1-4H3