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

Systemtic Name: 2-[4-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid CAS Name: 2-[4-[2-oxo-2-(2-oxolanylmethylamino)ethyl]-1-piperazinyl]-2-(2-phenyl-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid Traditional Name: 2-[4-[2-keto-2-(tetrahydrofurfurylamino)ethyl]piperazino]-2-(2-phenyl-1H-indol-3-yl)acetic acid Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CN2CCN(CC2)C(C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CC(OC1)CNC(=O)CN2CCN(CC2)C(C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H32N4O4/c32-23(28-17-20-9-6-16-35-20)18-30-12-14-31(15-13-30)26(27(33)34)24-21-10-4-5-11-22(21)29-25(24)19-7-2-1-3-8-19/h1-5,7-8,10-11,20,26,29H,6,9,12-18H2,(H,28,32)(H,33,34)