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

Systemtic Name: 2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(phenylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(4-benzylpiperazin-1-yl)-2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]acetic acid CAS Name: 2-[6-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]-2-[4-(phenylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(4-benzylpiperazin-1-yl)-2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]acetic acid Traditional Name: 2-(4-benzylpiperazino)-2-[6-(isobutyrylamino)-1H-indol-3-yl]acetic acid Formula: C25H30N4O3 MolecularWeight: 434.5307

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=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3/c1-17(2)24(30)27-19-8-9-20-21(15-26-22(20)14-19)23(25(31)32)29-12-10-28(11-13-29)16-18-6-4-3-5-7-18/h3-9,14-15,17,23,26H,10-13,16H2,1-2H3,(H,27,30)(H,31,32)