2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]acetic acid CAS Name: 2-[1-(carboxymethyl)-5-methoxy-3-indolyl]-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[1-(carboxymethyl)-5-methoxyindol-3-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetic acid Traditional Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]acetic acid Formula: C23H30N4O6 MolecularWeight: 458.5075

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)CC(=O)N4CCCC4)CC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)CC(=O)N4CCCC4)CC(=O)O

InChI

InChI=1S/C23H30N4O6/c1-33-16-4-5-19-17(12-16)18(13-27(19)15-21(29)30)22(23(31)32)26-10-8-24(9-11-26)14-20(28)25-6-2-3-7-25/h4-5,12-13,22H,2-3,6-11,14-15H2,1H3,(H,29,30)(H,31,32)