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

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 3-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[2-(4-benzylpiperazino)-2-keto-ethyl]-1H-indole-2-carboxylic acid Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC3=C(NC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC3=C(NC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C22H23N3O3/c26-20(14-18-17-8-4-5-9-19(17)23-21(18)22(27)28)25-12-10-24(11-13-25)15-16-6-2-1-3-7-16/h1-9,23H,10-15H2,(H,27,28)