3-[1-(4-ethanoylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-1-(phenylmethyl)indole-6-carboxylic acid

Systemtic Name: 3-[1-(4-ethanoylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-1-(phenylmethyl)indole-6-carboxylic acid Openeye Name: 3-[1-(4-acetylpiperazin-1-yl)-2-hydroxy-2-oxo-ethyl]-1-benzyl-indole-6-carboxylic acid CAS Name: 3-[1-(4-acetyl-1-piperazinyl)-2-hydroxy-2-oxoethyl]-1-(phenylmethyl)-6-indolecarboxylic acid IUPAC Name: 3-[1-(4-acetylpiperazin-1-yl)-2-hydroxy-2-oxoethyl]-1-benzylindole-6-carboxylic acid Traditional Name: 3-[1-(4-acetylpiperazino)-2-hydroxy-2-keto-ethyl]-1-benzyl-indole-6-carboxylic acid Formula: C24H25N3O5 MolecularWeight: 435.4724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)C(=O)O)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)C(=O)O)CC4=CC=CC=C4)C(=O)O

InChI

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