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

Systemtic Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]acetic acid CAS Name: 2-[1-(carboxymethyl)-3-indolyl]-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetic acid Traditional Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]acetic acid Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)C(C3=CN(C4=CC=CC=C43)CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C(C3=CN(C4=CC=CC=C43)CC(=O)O)C(=O)O

InChI

InChI=1S/C22H28N4O5/c27-19(24-7-3-4-8-24)14-23-9-11-25(12-10-23)21(22(30)31)17-13-26(15-20(28)29)18-6-2-1-5-16(17)18/h1-2,5-6,13,21H,3-4,7-12,14-15H2,(H,28,29)(H,30,31)