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

Systemtic Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-(4-ethylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-(4-ethylpiperazin-1-yl)acetic acid CAS Name: 2-[1-(carboxymethyl)-5-methoxy-3-indolyl]-2-(4-ethyl-1-piperazinyl)acetic acid IUPAC Name: 2-[1-(carboxymethyl)-5-methoxyindol-3-yl]-2-(4-ethylpiperazin-1-yl)acetic acid Traditional Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-(4-ethylpiperazino)acetic acid Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)OC)CC(=O)O)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)OC)CC(=O)O)C(=O)O

InChI

InChI=1S/C19H25N3O5/c1-3-20-6-8-21(9-7-20)18(19(25)26)15-11-22(12-17(23)24)16-5-4-13(27-2)10-14(15)16/h4-5,10-11,18H,3,6-9,12H2,1-2H3,(H,23,24)(H,25,26)