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

Systemtic Name: 2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(2-pyridylmethyl)piperazin-1-yl]acetic acid CAS Name: 2-[6-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]-2-[4-(2-pyridinylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetic acid Traditional Name: 2-[6-(isobutyrylamino)-1H-indol-3-yl]-2-[4-(2-pyridylmethyl)piperazino]acetic acid Formula: C24H29N5O3 MolecularWeight: 435.51876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C24H29N5O3/c1-16(2)23(30)27-17-6-7-19-20(14-26-21(19)13-17)22(24(31)32)29-11-9-28(10-12-29)15-18-5-3-4-8-25-18/h3-8,13-14,16,22,26H,9-12,15H2,1-2H3,(H,27,30)(H,31,32)