2-[1-[2-methanoyl-4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]indol-5-yl]oxyethanoic acid

Systemtic Name: 2-[1-[2-methanoyl-4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]indol-5-yl]oxyethanoic acid Openeye Name: 2-[1-[2-formyl-4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]indol-5-yl]oxyacetic acid CAS Name: 2-[[1-[2-formyl-4-[3-(propan-2-ylamino)-2-pyridinyl]-1-piperazinyl]-5-indolyl]oxy]acetic acid IUPAC Name: 2-[1-[2-formyl-4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]indol-5-yl]oxyacetic acid Traditional Name: 2-[1-[2-formyl-4-[3-(isopropylamino)-2-pyridyl]piperazino]indol-5-yl]oxyacetic acid Formula: C23H27N5O4 MolecularWeight: 437.49158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(N=CC=C1)N2CCN(C(C2)C=O)N3C=CC4=C3C=CC(=C4)OCC(=O)O

Isomeric SMILES

CC(C)NC1=C(N=CC=C1)N2CCN(C(C2)C=O)N3C=CC4=C3C=CC(=C4)OCC(=O)O

InChI

InChI=1S/C23H27N5O4/c1-16(2)25-20-4-3-8-24-23(20)26-10-11-27(18(13-26)14-29)28-9-7-17-12-19(5-6-21(17)28)32-15-22(30)31/h3-9,12,14,16,18,25H,10-11,13,15H2,1-2H3,(H,30,31)