2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-phenyl-ethanol; ethanedioic acid

Systemtic Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-phenyl-ethanol; ethanedioic acid Openeye Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-phenyl-ethanol; oxalic acid CAS Name: 2-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-1-phenylethanol; oxalic acid IUPAC Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-phenylethanol; oxalic acid Traditional Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-phenyl-ethanol; oxalic acid Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNCC(C2=CC=CC=C2)O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=NN1CCCNCC(C2=CC=CC=C2)O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23N3O.C2H2O4/c1-13-11-14(2)19(18-13)10-6-9-17-12-16(20)15-7-4-3-5-8-15;3-1(4)2(5)6/h3-5,7-8,11,16-17,20H,6,9-10,12H2,1-2H3;(H,3,4)(H,5,6)