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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC1CCC2=C(O1)C=C(C=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CCNCC1CCC2=C(O1)C=C(C=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H23NO2.C2H2O4/c1-11(2)7-8-16-10-14-6-4-12-3-5-13(17)9-15(12)18-14;3-1(4)2(5)6/h3,5,9,11,14,16-17H,4,6-8,10H2,1-2H3;(H,3,4)(H,5,6)