(E)-but-2-enedioic acid; (2S)-1-(6-methoxy-3-methyl-indazol-1-yl)propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; (2S)-1-(6-methoxy-3-methyl-indazol-1-yl)propan-2-amine Openeye Name: fumaric acid; (2S)-1-(6-methoxy-3-methyl-indazol-1-yl)propan-2-amine CAS Name: (E)-2-butenedioic acid; (2S)-1-(6-methoxy-3-methyl-1-indazolyl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; (2S)-1-(6-methoxy-3-methylindazol-1-yl)propan-2-amine Traditional Name: fumaric acid; [(1S)-2-(6-methoxy-3-methyl-indazol-1-yl)-1-methyl-ethyl]amine Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=CC(=C2)OC)CC(C)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NN(C2=C1C=CC(=C2)OC)C[C@H](C)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H17N3O.C4H4O4/c1-8(13)7-15-12-6-10(16-3)4-5-11(12)9(2)14-15;5-3(6)1-2-4(7)8/h4-6,8H,7,13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t8-;/m0./s1