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

Systemtic Name: 3-[1-(4-ethanoylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 3-[1-(4-acetylpiperazin-1-yl)-2-hydroxy-2-oxo-ethyl]-1-benzyl-indole-2-carboxylic acid CAS Name: 3-[1-(4-acetyl-1-piperazinyl)-2-hydroxy-2-oxoethyl]-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 3-[1-(4-acetylpiperazin-1-yl)-2-hydroxy-2-oxoethyl]-1-benzylindole-2-carboxylic acid Traditional Name: 3-[1-(4-acetylpiperazino)-2-hydroxy-2-keto-ethyl]-1-benzyl-indole-2-carboxylic acid Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(C2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C(C2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C24H25N3O5/c1-16(28)25-11-13-26(14-12-25)21(23(29)30)20-18-9-5-6-10-19(18)27(22(20)24(31)32)15-17-7-3-2-4-8-17/h2-10,21H,11-15H2,1H3,(H,29,30)(H,31,32)