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

Systemtic Name: 2-(1H-indol-3-yl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(4-benzylpiperazin-1-yl)-2-(1H-indol-3-yl)acetic acid CAS Name: 2-(1H-indol-3-yl)-2-[4-(phenylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(4-benzylpiperazin-1-yl)-2-(1H-indol-3-yl)acetic acid Traditional Name: 2-(4-benzylpiperazino)-2-(1H-indol-3-yl)acetic acid Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(C3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(C3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C21H23N3O2/c25-21(26)20(18-14-22-19-9-5-4-8-17(18)19)24-12-10-23(11-13-24)15-16-6-2-1-3-7-16/h1-9,14,20,22H,10-13,15H2,(H,25,26)