2,5-bis(oxidanyl)benzoic acid; (E,2S)-5-(5-methoxypyridin-3-yl)-N-methyl-pent-4-en-2-amine

Systemtic Name: 2,5-bis(oxidanyl)benzoic acid; (E,2S)-5-(5-methoxypyridin-3-yl)-N-methyl-pent-4-en-2-amine Openeye Name: 2,5-dihydroxybenzoic acid; (E,2S)-5-(5-methoxy-3-pyridyl)-N-methyl-pent-4-en-2-amine CAS Name: 2,5-dihydroxybenzoic acid; (E,2S)-5-(5-methoxy-3-pyridinyl)-N-methyl-4-penten-2-amine IUPAC Name: 2,5-dihydroxybenzoic acid; (E,2S)-5-(5-methoxypyridin-3-yl)-N-methylpent-4-en-2-amine Traditional Name: gentisic acid; [(E,1S)-4-(5-methoxy-3-pyridyl)-1-methyl-but-3-enyl]-methyl-amine Formula: C19H24N2O5 MolecularWeight: 360.40426

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=CC1=CC(=CN=C1)OC)NC.C1=CC(=C(C=C1O)C(=O)O)O

Isomeric SMILES

C[C@@H](C/C=C/C1=CC(=CN=C1)OC)NC.C1=CC(=C(C=C1O)C(=O)O)O

InChI

InChI=1S/C12H18N2O.C7H6O4/c1-10(13-2)5-4-6-11-7-12(15-3)9-14-8-11;8-4-1-2-6(9)5(3-4)7(10)11/h4,6-10,13H,5H2,1-3H3;1-3,8-9H,(H,10,11)/b6-4+;/t10-;/m0./s1