3-[2-[(3R)-3-methyl-4-(phenylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethanoyl]-1H-indole-7-carboxylic acid

Systemtic Name: 3-[2-[(3R)-3-methyl-4-(phenylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethanoyl]-1H-indole-7-carboxylic acid Openeye Name: 3-[2-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-oxo-acetyl]-1H-indole-7-carboxylic acid CAS Name: 3-[2-[(3R)-4-benzoyl-3-methyl-1-piperazinyl]-1,2-dioxoethyl]-1H-indole-7-carboxylic acid IUPAC Name: 3-[2-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indole-7-carboxylic acid Traditional Name: 3-[2-[(3R)-4-benzoyl-3-methyl-piperazino]-2-keto-acetyl]-1H-indole-7-carboxylic acid Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C3C=CC=C4C(=O)O

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C3C=CC=C4C(=O)O

InChI

InChI=1S/C23H21N3O5/c1-14-13-25(10-11-26(14)21(28)15-6-3-2-4-7-15)22(29)20(27)18-12-24-19-16(18)8-5-9-17(19)23(30)31/h2-9,12,14,24H,10-11,13H2,1H3,(H,30,31)/t14-/m1/s1