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

Systemtic Name: methyl 3-[2-oxidanylidene-2-[4-(phenylcarbonyl)-3-propan-2-yl-piperazin-1-yl]ethanoyl]-1H-indole-7-carboxylate Openeye Name: methyl 3-[2-(4-benzoyl-3-isopropyl-piperazin-1-yl)-2-oxo-acetyl]-1H-indole-7-carboxylate CAS Name: 3-[2-(4-benzoyl-3-propan-2-yl-1-piperazinyl)-1,2-dioxoethyl]-1H-indole-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(4-benzoyl-3-propan-2-ylpiperazin-1-yl)-2-oxoacetyl]-1H-indole-7-carboxylate Traditional Name: 3-[2-(4-benzoyl-3-isopropyl-piperazino)-2-keto-acetyl]-1H-indole-7-carboxylic acid methyl ester Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C3C=CC=C4C(=O)OC

Isomeric SMILES

CC(C)C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C3C=CC=C4C(=O)OC

InChI

InChI=1S/C26H27N3O5/c1-16(2)21-15-28(12-13-29(21)24(31)17-8-5-4-6-9-17)25(32)23(30)20-14-27-22-18(20)10-7-11-19(22)26(33)34-3/h4-11,14,16,21,27H,12-13,15H2,1-3H3