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

Systemtic Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-(4-methanoylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-(4-formylpiperazin-1-yl)acetic acid CAS Name: 2-[1-(carboxymethyl)-5-methoxy-3-indolyl]-2-(4-formyl-1-piperazinyl)acetic acid IUPAC Name: 2-[1-(carboxymethyl)-5-methoxyindol-3-yl]-2-(4-formylpiperazin-1-yl)acetic acid Traditional Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-(4-formylpiperazino)acetic acid Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)C=O)CC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)C=O)CC(=O)O

InChI

InChI=1S/C18H21N3O6/c1-27-12-2-3-15-13(8-12)14(9-21(15)10-16(23)24)17(18(25)26)20-6-4-19(11-22)5-7-20/h2-3,8-9,11,17H,4-7,10H2,1H3,(H,23,24)(H,25,26)