2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-(4-ethanoylpiperazin-1-yl)ethanoic acid

Systemtic Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-(4-ethanoylpiperazin-1-yl)ethanoic acid Openeye Name: 2-(4-acetylpiperazin-1-yl)-2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]acetic acid CAS Name: 2-(4-acetyl-1-piperazinyl)-2-[1-(carboxymethyl)-5-methoxy-3-indolyl]acetic acid IUPAC Name: 2-(4-acetylpiperazin-1-yl)-2-[1-(carboxymethyl)-5-methoxyindol-3-yl]acetic acid Traditional Name: 2-(4-acetylpiperazino)-2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]acetic acid Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)OC)CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)OC)CC(=O)O)C(=O)O

InChI

InChI=1S/C19H23N3O6/c1-12(23)20-5-7-21(8-6-20)18(19(26)27)15-10-22(11-17(24)25)16-4-3-13(28-2)9-14(15)16/h3-4,9-10,18H,5-8,11H2,1-2H3,(H,24,25)(H,26,27)