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

Systemtic Name: 2-(4-methylpiperazin-1-yl)-2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-(4-methylpiperazin-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-methyl-1-piperazinyl)acetic acid IUPAC Name: 2-(4-methylpiperazin-1-yl)-2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]acetic acid Traditional Name: 2-[6-(isobutyrylamino)-1H-indol-3-yl]-2-(4-methylpiperazino)acetic acid Formula: C19H26N4O3 MolecularWeight: 358.43474

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O3/c1-12(2)18(24)21-13-4-5-14-15(11-20-16(14)10-13)17(19(25)26)23-8-6-22(3)7-9-23/h4-5,10-12,17,20H,6-9H2,1-3H3,(H,21,24)(H,25,26)