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

Systemtic Name: 3-[1-(4-methanoylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-1-(phenylmethyl)indole-6-carboxylic acid Openeye Name: 1-benzyl-3-[1-(4-formylpiperazin-1-yl)-2-hydroxy-2-oxo-ethyl]indole-6-carboxylic acid CAS Name: 3-[1-(4-formyl-1-piperazinyl)-2-hydroxy-2-oxoethyl]-1-(phenylmethyl)-6-indolecarboxylic acid IUPAC Name: 1-benzyl-3-[1-(4-formylpiperazin-1-yl)-2-hydroxy-2-oxoethyl]indole-6-carboxylic acid Traditional Name: 1-benzyl-3-[1-(4-formylpiperazino)-2-hydroxy-2-keto-ethyl]indole-6-carboxylic acid Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(C2=CN(C3=C2C=CC(=C3)C(=O)O)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1C=O)C(C2=CN(C3=C2C=CC(=C3)C(=O)O)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H23N3O5/c27-15-24-8-10-25(11-9-24)21(23(30)31)19-14-26(13-16-4-2-1-3-5-16)20-12-17(22(28)29)6-7-18(19)20/h1-7,12,14-15,21H,8-11,13H2,(H,28,29)(H,30,31)