4-(aminomethyl)-3-octyl-3,4-dihydro-1H-isochromene-5,6-diol

Systemtic Name: 4-(aminomethyl)-3-octyl-3,4-dihydro-1H-isochromene-5,6-diol Openeye Name: 4-(aminomethyl)-3-octyl-isochromane-5,6-diol CAS Name: 4-(aminomethyl)-3-octyl-3,4-dihydro-1H-2-benzopyran-5,6-diol IUPAC Name: 4-(aminomethyl)-3-octyl-3,4-dihydro-1H-isochromene-5,6-diol Traditional Name: 4-(aminomethyl)-3-octyl-isochroman-5,6-diol Formula: C18H29NO3 MolecularWeight: 307.42776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(C2=C(CO1)C=CC(=C2O)O)CN

Isomeric SMILES

CCCCCCCCC1C(C2=C(CO1)C=CC(=C2O)O)CN

InChI

InChI=1S/C18H29NO3/c1-2-3-4-5-6-7-8-16-14(11-19)17-13(12-22-16)9-10-15(20)18(17)21/h9-10,14,16,20-21H,2-8,11-12,19H2,1H3