2-(4-azanylheptan-4-yl)-3,4-dihydro-2H-chromen-7-ol; ethanedioic acid

Systemtic Name: 2-(4-azanylheptan-4-yl)-3,4-dihydro-2H-chromen-7-ol; ethanedioic acid Openeye Name: 2-(1-amino-1-propyl-butyl)chroman-7-ol; oxalic acid CAS Name: 2-(4-aminoheptan-4-yl)-3,4-dihydro-2H-1-benzopyran-7-ol; oxalic acid IUPAC Name: 2-(4-aminoheptan-4-yl)-3,4-dihydro-2H-chromen-7-ol; oxalic acid Traditional Name: 2-(1-amino-1-propyl-butyl)chroman-7-ol; oxalic acid Formula: C18H27NO6 MolecularWeight: 353.41008

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(C1CCC2=C(O1)C=C(C=C2)O)N.C(=O)(C(=O)O)O

Isomeric SMILES

CCCC(CCC)(C1CCC2=C(O1)C=C(C=C2)O)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25NO2.C2H2O4/c1-3-9-16(17,10-4-2)15-8-6-12-5-7-13(18)11-14(12)19-15;3-1(4)2(5)6/h5,7,11,15,18H,3-4,6,8-10,17H2,1-2H3;(H,3,4)(H,5,6)