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

Systemtic Name: 1-ethyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]indole-2-carboxylic acid Openeye Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-1-ethyl-indole-2-carboxylic acid CAS Name: 1-ethyl-3-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2-indolecarboxylic acid IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-ethylindole-2-carboxylic acid Traditional Name: 3-[2-(4-benzylpiperazino)-2-keto-ethyl]-1-ethyl-indole-2-carboxylic acid Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3/c1-2-27-21-11-7-6-10-19(21)20(23(27)24(29)30)16-22(28)26-14-12-25(13-15-26)17-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3,(H,29,30)