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

Systemtic Name: 2-(4-ethylpiperazin-1-yl)-2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-(4-ethylpiperazin-1-yl)-2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]acetic acid CAS Name: 2-(4-ethyl-1-piperazinyl)-2-[6-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]acetic acid IUPAC Name: 2-(4-ethylpiperazin-1-yl)-2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]acetic acid Traditional Name: 2-(4-ethylpiperazino)-2-[6-(isobutyrylamino)-1H-indol-3-yl]acetic acid Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(C2=CNC3=C2C=CC(=C3)NC(=O)C(C)C)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C(C2=CNC3=C2C=CC(=C3)NC(=O)C(C)C)C(=O)O

InChI

InChI=1S/C20H28N4O3/c1-4-23-7-9-24(10-8-23)18(20(26)27)16-12-21-17-11-14(5-6-15(16)17)22-19(25)13(2)3/h5-6,11-13,18,21H,4,7-10H2,1-3H3,(H,22,25)(H,26,27)