5-[[2-[3-(1-phenylethoxy)phenyl]-3,4-dihydropyrazol-5-yl]amino]pentanoic acid

Systemtic Name: 5-[[2-[3-(1-phenylethoxy)phenyl]-3,4-dihydropyrazol-5-yl]amino]pentanoic acid Openeye Name: 5-[[2-[3-(1-phenylethoxy)phenyl]-3,4-dihydropyrazol-5-yl]amino]pentanoic acid CAS Name: 5-[[2-[3-(1-phenylethoxy)phenyl]-3,4-dihydropyrazol-5-yl]amino]pentanoic acid IUPAC Name: 5-[[2-[3-(1-phenylethoxy)phenyl]-3,4-dihydropyrazol-5-yl]amino]pentanoic acid Traditional Name: 5-[[1-[3-(1-phenylethoxy)phenyl]-2-pyrazolin-3-yl]amino]valeric acid Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC2=CC=CC(=C2)N3CCC(=N3)NCCCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)OC2=CC=CC(=C2)N3CCC(=N3)NCCCCC(=O)O

InChI

InChI=1S/C22H27N3O3/c1-17(18-8-3-2-4-9-18)28-20-11-7-10-19(16-20)25-15-13-21(24-25)23-14-6-5-12-22(26)27/h2-4,7-11,16-17H,5-6,12-15H2,1H3,(H,23,24)(H,26,27)