2-[4-[1-fluoranyl-3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-1-pyrrolidin-2-yl-propyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[1-fluoranyl-3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-1-pyrrolidin-2-yl-propyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[1-fluoro-3-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]-2-oxo-1-pyrrolidin-2-yl-propyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[1-fluoro-3-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-2-oxo-1-(2-pyrrolidinyl)propyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[1-fluoro-3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxo-1-pyrrolidin-2-ylpropyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[1-fluoro-2-keto-3-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]-1-pyrrolidin-2-yl-propyl]piperazino]acetic acid Formula: C28H36FN5O5 MolecularWeight: 541.614343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)C(C3CCCN3)(N4CCN(CC4)CC(=O)O)F)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)C(C3CCCN3)(N4CCN(CC4)CC(=O)O)F)OC

InChI

InChI=1S/C28H36FN5O5/c1-19-6-3-4-7-21(19)31-27(38)32-22-10-9-20(16-23(22)39-2)17-25(35)28(29,24-8-5-11-30-24)34-14-12-33(13-15-34)18-26(36)37/h3-4,6-7,9-10,16,24,30H,5,8,11-15,17-18H2,1-2H3,(H,36,37)(H2,31,32,38)