1-methyl-3-[2-oxidanyl-2-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]ethyl]indole-5-carboxylic acid

Systemtic Name: 1-methyl-3-[2-oxidanyl-2-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]ethyl]indole-5-carboxylic acid Openeye Name: 3-[1-(4-benzylpiperazin-1-yl)-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[2-hydroxy-2-oxo-1-[4-(phenylmethyl)-1-piperazinyl]ethyl]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-[1-(4-benzylpiperazin-1-yl)-2-hydroxy-2-oxoethyl]-1-methylindole-5-carboxylic acid Traditional Name: 3-[1-(4-benzylpiperazino)-2-hydroxy-2-keto-ethyl]-1-methyl-indole-5-carboxylic acid Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O4/c1-24-15-19(18-13-17(22(27)28)7-8-20(18)24)21(23(29)30)26-11-9-25(10-12-26)14-16-5-3-2-4-6-16/h2-8,13,15,21H,9-12,14H2,1H3,(H,27,28)(H,29,30)