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

Systemtic Name: 2-(5-methyl-1H-indol-3-yl)-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(5-methyl-1H-indol-3-yl)-2-[4-[2-(2-pyridyl)ethyl]piperazin-1-yl]acetic acid CAS Name: 2-(5-methyl-1H-indol-3-yl)-2-[4-[2-(2-pyridinyl)ethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-(5-methyl-1H-indol-3-yl)-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(5-methyl-1H-indol-3-yl)-2-[4-[2-(2-pyridyl)ethyl]piperazino]acetic acid Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)CCC4=CC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)CCC4=CC=CC=N4

InChI

InChI=1S/C22H26N4O2/c1-16-5-6-20-18(14-16)19(15-24-20)21(22(27)28)26-12-10-25(11-13-26)9-7-17-4-2-3-8-23-17/h2-6,8,14-15,21,24H,7,9-13H2,1H3,(H,27,28)