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

Systemtic Name: 2-(4-ethanoylpiperazin-1-yl)-2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-(4-acetylpiperazin-1-yl)-2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]acetic acid CAS Name: 2-(4-acetyl-1-piperazinyl)-2-[5-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]acetic acid IUPAC Name: 2-(4-acetylpiperazin-1-yl)-2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]acetic acid Traditional Name: 2-(4-acetylpiperazino)-2-[5-(isobutyrylamino)-1H-indol-3-yl]acetic acid Formula: C20H26N4O4 MolecularWeight: 386.44484

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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)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4/c1-12(2)19(26)22-14-4-5-17-15(10-14)16(11-21-17)18(20(27)28)24-8-6-23(7-9-24)13(3)25/h4-5,10-12,18,21H,6-9H2,1-3H3,(H,22,26)(H,27,28)