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

Systemtic Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetic acid CAS Name: 2-[1-(carboxymethyl)-5-methoxy-3-indolyl]-2-(4-methyl-1-piperazinyl)acetic acid IUPAC Name: 2-[1-(carboxymethyl)-5-methoxyindol-3-yl]-2-(4-methylpiperazin-1-yl)acetic acid Traditional Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-(4-methylpiperazino)acetic acid Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)OC)CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)OC)CC(=O)O)C(=O)O

InChI

InChI=1S/C18H23N3O5/c1-19-5-7-20(8-6-19)17(18(24)25)14-10-21(11-16(22)23)15-4-3-12(26-2)9-13(14)15/h3-4,9-10,17H,5-8,11H2,1-2H3,(H,22,23)(H,24,25)