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

Systemtic Name: ethanedioic acid; 2-[(2-methylpropylamino)methyl]-3,4-dihydro-2H-chromen-7-ol Openeye Name: 2-[(isobutylamino)methyl]chroman-7-ol; oxalic acid CAS Name: 2-[(2-methylpropylamino)methyl]-3,4-dihydro-2H-1-benzopyran-7-ol; oxalic acid IUPAC Name: 2-[(2-methylpropylamino)methyl]-3,4-dihydro-2H-chromen-7-ol; oxalic acid Traditional Name: 2-[(isobutylamino)methyl]chroman-7-ol; oxalic acid Formula: C16H23NO6 MolecularWeight: 325.35692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1CCC2=C(O1)C=C(C=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CNCC1CCC2=C(O1)C=C(C=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21NO2.C2H2O4/c1-10(2)8-15-9-13-6-4-11-3-5-12(16)7-14(11)17-13;3-1(4)2(5)6/h3,5,7,10,13,15-16H,4,6,8-9H2,1-2H3;(H,3,4)(H,5,6)