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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CC2=C(C=CC(=C2O)O)C(O1)CN

Isomeric SMILES

CCCCCCCC[C@@H]1CC2=C(C=CC(=C2O)O)[C@@H](O1)CN

InChI

InChI=1S/C18H29NO3/c1-2-3-4-5-6-7-8-13-11-15-14(17(12-19)22-13)9-10-16(20)18(15)21/h9-10,13,17,20-21H,2-8,11-12,19H2,1H3/t13-,17+/m1/s1