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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCN(CC3)CC4=CC=CC=C4

InChI

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