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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCN(CC3)CC4=CN=CC=C4

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCN(CC3)CC4=CN=CC=C4

InChI

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