2-[1-[[3-[4-[C-(4-methylpiperazin-1-yl)carbonimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[[3-[4-[C-(4-methylpiperazin-1-yl)carbonimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[[3-[4-(4-methylpiperazine-1-carboximidoyl)phenyl]-4,5-dihydroisoxazol-5-yl]methyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[[3-[4-[imino-(4-methyl-1-piperazinyl)methyl]phenyl]-4,5-dihydroisoxazol-5-yl]methyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[[3-[4-(4-methylpiperazine-1-carboximidoyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[[3-[4-(4-methylpiperazine-1-carboximidoyl)phenyl]-2-isoxazolin-5-yl]methyl]-4-piperidyl]acetic acid Formula: C23H33N5O3 MolecularWeight: 427.53982

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=N)C2=CC=C(C=C2)C3=NOC(C3)CN4CCC(CC4)CC(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=N)C2=CC=C(C=C2)C3=NOC(C3)CN4CCC(CC4)CC(=O)O

InChI

InChI=1S/C23H33N5O3/c1-26-10-12-28(13-11-26)23(24)19-4-2-18(3-5-19)21-15-20(31-25-21)16-27-8-6-17(7-9-27)14-22(29)30/h2-5,17,20,24H,6-16H2,1H3,(H,29,30)