2,2-dimethyl-7-pentyl-4-[1-(quinolin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydrochromen-5-ol

Systemtic Name: 2,2-dimethyl-7-pentyl-4-[1-(quinolin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydrochromen-5-ol Openeye Name: 2,2-dimethyl-7-pentyl-4-[1-(3-quinolylmethyl)-3,6-dihydro-2H-pyridin-4-yl]chroman-5-ol CAS Name: 2,2-dimethyl-7-pentyl-4-[1-(3-quinolinylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydro-2H-1-benzopyran-5-ol IUPAC Name: 2,2-dimethyl-7-pentyl-4-[1-(quinolin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydrochromen-5-ol Traditional Name: 7-amyl-2,2-dimethyl-4-[1-(3-quinolylmethyl)-3,6-dihydro-2H-pyridin-4-yl]chroman-5-ol Formula: C31H38N2O2 MolecularWeight: 470.64562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C(CC(O2)(C)C)C3=CCN(CC3)CC4=CC5=CC=CC=C5N=C4)C(=C1)O

Isomeric SMILES

CCCCCC1=CC2=C(C(CC(O2)(C)C)C3=CCN(CC3)CC4=CC5=CC=CC=C5N=C4)C(=C1)O

InChI

InChI=1S/C31H38N2O2/c1-4-5-6-9-22-17-28(34)30-26(19-31(2,3)35-29(30)18-22)24-12-14-33(15-13-24)21-23-16-25-10-7-8-11-27(25)32-20-23/h7-8,10-12,16-18,20,26,34H,4-6,9,13-15,19,21H2,1-3H3