2-(1,2,3,6,7,8-hexahydropyren-4-ylmethylamino)-2-methyl-propane-1,3-diol

Systemtic Name: 2-(1,2,3,6,7,8-hexahydropyren-4-ylmethylamino)-2-methyl-propane-1,3-diol Openeye Name: 2-(1,2,3,6,7,8-hexahydropyren-4-ylmethylamino)-2-methyl-propane-1,3-diol CAS Name: 2-(1,2,3,6,7,8-hexahydropyren-4-ylmethylamino)-2-methylpropane-1,3-diol IUPAC Name: 2-(1,2,3,6,7,8-hexahydropyren-4-ylmethylamino)-2-methylpropane-1,3-diol Traditional Name: 2-(1,2,3,6,7,8-hexahydropyren-4-ylmethylamino)-2-methyl-propane-1,3-diol Formula: C21H27NO2 MolecularWeight: 325.44458

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=C2CCCC3=C2C4=C(CCCC4=C1)C=C3

Isomeric SMILES

CC(CO)(CO)NCC1=C2CCCC3=C2C4=C(CCCC4=C1)C=C3

InChI

InChI=1S/C21H27NO2/c1-21(12-23,13-24)22-11-17-10-16-6-2-4-14-8-9-15-5-3-7-18(17)20(15)19(14)16/h8-10,22-24H,2-7,11-13H2,1H3