2-oxidanylidene-2-[5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-oxidanylidene-2-[5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-(4-benzylpiperazine-1-carbonyl)-1H-indol-3-yl]-2-oxo-acetic acid CAS Name: 2-oxo-2-[5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-(4-benzylpiperazine-1-carbonyl)-1H-indol-3-yl]-2-oxoacetic acid Traditional Name: 2-[5-(4-benzylpiperazine-1-carbonyl)-1H-indol-3-yl]-2-keto-acetic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC=C4C(=O)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC=C4C(=O)C(=O)O

InChI

InChI=1S/C22H21N3O4/c26-20(22(28)29)18-13-23-19-7-6-16(12-17(18)19)21(27)25-10-8-24(9-11-25)14-15-4-2-1-3-5-15/h1-7,12-13,23H,8-11,14H2,(H,28,29)