1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-phenylmethoxy-propan-2-ol; ethanedioic acid

Systemtic Name: 1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-phenylmethoxy-propan-2-ol; ethanedioic acid Openeye Name: 1-benzyloxy-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol; oxalic acid CAS Name: 1-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-3-phenylmethoxy-2-propanol; oxalic acid IUPAC Name: 1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-phenylmethoxypropan-2-ol; oxalic acid Traditional Name: 1-benzoxy-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol; oxalic acid Formula: C20H29N3O6 MolecularWeight: 407.46076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNCC(COCC2=CC=CC=C2)O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=NN1CCCNCC(COCC2=CC=CC=C2)O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27N3O2.C2H2O4/c1-15-11-16(2)21(20-15)10-6-9-19-12-18(22)14-23-13-17-7-4-3-5-8-17;3-1(4)2(5)6/h3-5,7-8,11,18-19,22H,6,9-10,12-14H2,1-2H3;(H,3,4)(H,5,6)