2-(benzo[b]pyren-6-ylmethylamino)-2-methyl-propane-1,3-diol

Systemtic Name: 2-(benzo[b]pyren-6-ylmethylamino)-2-methyl-propane-1,3-diol Openeye Name: 2-(benzo[b]pyren-6-ylmethylamino)-2-methyl-propane-1,3-diol CAS Name: 2-(6-benzo[b]pyrenylmethylamino)-2-methylpropane-1,3-diol IUPAC Name: 2-(benzo[b]pyren-6-ylmethylamino)-2-methylpropane-1,3-diol Traditional Name: 2-(benzo[b]pyren-6-ylmethylamino)-2-methyl-propane-1,3-diol Formula: C25H23NO2 MolecularWeight: 369.45562

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

Isomeric SMILES

CC(CO)(CO)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

InChI

InChI=1S/C25H23NO2/c1-25(14-27,15-28)26-13-22-19-8-3-2-7-18(19)20-11-9-16-5-4-6-17-10-12-21(22)24(20)23(16)17/h2-12,26-28H,13-15H2,1H3