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

Systemtic Name: 2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-(4-phenylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-(4-phenylpiperazin-1-yl)acetic acid CAS Name: 2-[5-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]-2-(4-phenyl-1-piperazinyl)acetic acid IUPAC Name: 2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]-2-(4-phenylpiperazin-1-yl)acetic acid Traditional Name: 2-[5-(isobutyrylamino)-1H-indol-3-yl]-2-(4-phenylpiperazino)acetic acid Formula: C24H28N4O3 MolecularWeight: 420.50412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3/c1-16(2)23(29)26-17-8-9-21-19(14-17)20(15-25-21)22(24(30)31)28-12-10-27(11-13-28)18-6-4-3-5-7-18/h3-9,14-16,22,25H,10-13H2,1-2H3,(H,26,29)(H,30,31)