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

Systemtic Name: 3-[1-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[1-[4-[2-(dimethylamino)-2-oxo-ethyl]piperazin-1-yl]-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[1-[4-[2-(dimethylamino)-2-oxoethyl]-1-piperazinyl]-2-hydroxy-2-oxoethyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[1-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-hydroxy-2-oxoethyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[1-[4-[2-(dimethylamino)-2-keto-ethyl]piperazino]-2-hydroxy-2-keto-ethyl]-1-methyl-indole-2-carboxylic acid Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCN(CC3)CC(=O)N(C)C

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCN(CC3)CC(=O)N(C)C

InChI

InChI=1S/C20H26N4O5/c1-21(2)15(25)12-23-8-10-24(11-9-23)18(20(28)29)16-13-6-4-5-7-14(13)22(3)17(16)19(26)27/h4-7,18H,8-12H2,1-3H3,(H,26,27)(H,28,29)