2-[1-[[3-[4-[N'-(phenylmethyl)carbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]carbonyl]piperidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[1-[[3-[4-[N'-(phenylmethyl)carbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]carbonyl]piperidin-4-yl]oxyethanoic acid Openeye Name: 2-[[1-[3-[4-(N'-benzylcarbamimidoyl)phenyl]-4,5-dihydroisoxazole-5-carbonyl]-4-piperidyl]oxy]acetic acid CAS Name: 2-[[1-[[3-[4-[amino-(phenylmethyl)iminomethyl]phenyl]-4,5-dihydroisoxazol-5-yl]-oxomethyl]-4-piperidinyl]oxy]acetic acid IUPAC Name: 2-[1-[3-[4-(N'-benzylcarbamimidoyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]oxyacetic acid Traditional Name: 2-[[1-[3-[4-(N'-benzylamidino)phenyl]-2-isoxazoline-5-carbonyl]-4-piperidyl]oxy]acetic acid Formula: C25H28N4O5 MolecularWeight: 464.51362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OCC(=O)O)C(=O)C2CC(=NO2)C3=CC=C(C=C3)C(=NCC4=CC=CC=C4)N

Isomeric SMILES

C1CN(CCC1OCC(=O)O)C(=O)C2CC(=NO2)C3=CC=C(C=C3)C(=NCC4=CC=CC=C4)N

InChI

InChI=1S/C25H28N4O5/c26-24(27-15-17-4-2-1-3-5-17)19-8-6-18(7-9-19)21-14-22(34-28-21)25(32)29-12-10-20(11-13-29)33-16-23(30)31/h1-9,20,22H,10-16H2,(H2,26,27)(H,30,31)