2-(1H-indol-3-yl)-2-[4-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(1H-indol-3-yl)-2-[4-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-(1H-indol-3-yl)-2-[4-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid CAS Name: 2-(1H-indol-3-yl)-2-[4-[2-oxo-2-(2-oxolanylmethylamino)ethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-(1H-indol-3-yl)-2-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid Traditional Name: 2-(1H-indol-3-yl)-2-[4-[2-keto-2-(tetrahydrofurfurylamino)ethyl]piperazino]acetic acid Formula: C21H28N4O4 MolecularWeight: 400.47142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CN2CCN(CC2)C(C3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CC(OC1)CNC(=O)CN2CCN(CC2)C(C3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C21H28N4O4/c26-19(23-12-15-4-3-11-29-15)14-24-7-9-25(10-8-24)20(21(27)28)17-13-22-18-6-2-1-5-16(17)18/h1-2,5-6,13,15,20,22H,3-4,7-12,14H2,(H,23,26)(H,27,28)