ethanedioic acid; 2-[(pentylamino)methyl]-3,4-dihydro-2H-chromen-7-ol

Systemtic Name: ethanedioic acid; 2-[(pentylamino)methyl]-3,4-dihydro-2H-chromen-7-ol Openeye Name: oxalic acid; 2-[(pentylamino)methyl]chroman-7-ol CAS Name: oxalic acid; 2-[(pentylamino)methyl]-3,4-dihydro-2H-1-benzopyran-7-ol IUPAC Name: oxalic acid; 2-[(pentylamino)methyl]-3,4-dihydro-2H-chromen-7-ol Traditional Name: 2-[(amylamino)methyl]chroman-7-ol; oxalic acid Formula: C17H25NO6 MolecularWeight: 339.3835

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCC1CCC2=C(O1)C=C(C=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCNCC1CCC2=C(O1)C=C(C=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H23NO2.C2H2O4/c1-2-3-4-9-16-11-14-8-6-12-5-7-13(17)10-15(12)18-14;3-1(4)2(5)6/h5,7,10,14,16-17H,2-4,6,8-9,11H2,1H3;(H,3,4)(H,5,6)