2-[(12-ethylchrysen-6-yl)methylamino]-2-methyl-propane-1,3-diol

Systemtic Name: 2-[(12-ethylchrysen-6-yl)methylamino]-2-methyl-propane-1,3-diol Openeye Name: 2-[(12-ethylchrysen-6-yl)methylamino]-2-methyl-propane-1,3-diol CAS Name: 2-[(12-ethyl-6-chrysenyl)methylamino]-2-methylpropane-1,3-diol IUPAC Name: 2-[(12-ethylchrysen-6-yl)methylamino]-2-methylpropane-1,3-diol Traditional Name: 2-[(12-ethylchrysen-6-yl)methylamino]-2-methyl-propane-1,3-diol Formula: C25H27NO2 MolecularWeight: 373.48738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C(C3=CC=CC=C32)CNC(C)(CO)CO)C4=CC=CC=C41

Isomeric SMILES

CCC1=CC2=C(C=C(C3=CC=CC=C32)CNC(C)(CO)CO)C4=CC=CC=C41

InChI

InChI=1S/C25H27NO2/c1-3-17-12-23-22-11-7-5-9-20(22)18(14-26-25(2,15-27)16-28)13-24(23)21-10-6-4-8-19(17)21/h4-13,26-28H,3,14-16H2,1-2H3