2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(2-methylallyl)piperazin-1-yl]-2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]acetic acid CAS Name: 2-[5-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]-2-[4-(2-methylprop-2-enyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(2-methylprop-2-enyl)piperazin-1-yl]acetic acid Traditional Name: 2-[5-(isobutyrylamino)-1H-indol-3-yl]-2-[4-(2-methylallyl)piperazino]acetic acid Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)CC(=C)C

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)CC(=C)C

InChI

InChI=1S/C22H30N4O3/c1-14(2)13-25-7-9-26(10-8-25)20(22(28)29)18-12-23-19-6-5-16(11-17(18)19)24-21(27)15(3)4/h5-6,11-12,15,20,23H,1,7-10,13H2,2-4H3,(H,24,27)(H,28,29)