2-(6-benzamido-1H-indol-3-yl)-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(6-benzamido-1H-indol-3-yl)-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(6-benzamido-1H-indol-3-yl)-2-[4-[2-(2-pyridyl)ethyl]piperazin-1-yl]acetic acid CAS Name: 2-(6-benzamido-1H-indol-3-yl)-2-[4-[2-(2-pyridinyl)ethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-(6-benzamido-1H-indol-3-yl)-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(6-benzamido-1H-indol-3-yl)-2-[4-[2-(2-pyridyl)ethyl]piperazino]acetic acid Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=N2)C(C3=CNC4=C3C=CC(=C4)NC(=O)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=N2)C(C3=CNC4=C3C=CC(=C4)NC(=O)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C28H29N5O3/c34-27(20-6-2-1-3-7-20)31-22-9-10-23-24(19-30-25(23)18-22)26(28(35)36)33-16-14-32(15-17-33)13-11-21-8-4-5-12-29-21/h1-10,12,18-19,26,30H,11,13-17H2,(H,31,34)(H,35,36)