2-[5-(hydroxymethyl)-1H-indol-3-yl]-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[5-(hydroxymethyl)-1H-indol-3-yl]-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[5-(hydroxymethyl)-1H-indol-3-yl]-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetic acid CAS Name: 2-[5-(hydroxymethyl)-1H-indol-3-yl]-2-[4-[2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[5-(hydroxymethyl)-1H-indol-3-yl]-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(5-methylol-1H-indol-3-yl)-2-[4-(2-pyrrolidinoethyl)piperazino]acetic acid Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2CCN(CC2)C(C3=CNC4=C3C=C(C=C4)CO)C(=O)O

Isomeric SMILES

C1CCN(C1)CCN2CCN(CC2)C(C3=CNC4=C3C=C(C=C4)CO)C(=O)O

InChI

InChI=1S/C21H30N4O3/c26-15-16-3-4-19-17(13-16)18(14-22-19)20(21(27)28)25-11-9-24(10-12-25)8-7-23-5-1-2-6-23/h3-4,13-14,20,22,26H,1-2,5-12,15H2,(H,27,28)