2-(5-benzamido-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(5-benzamido-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(5-benzamido-1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]piperazin-1-yl]acetic acid CAS Name: 2-(5-benzamido-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(5-benzamido-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(5-benzamido-1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]piperazino]acetic acid Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=NC=C2)C(C3=CNC4=C3C=C(C=C4)NC(=O)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC2=CC=NC=C2)C(C3=CNC4=C3C=C(C=C4)NC(=O)C5=CC=CC=C5)C(=O)O

InChI

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