1-[3-(2,4-dioctoxyphenyl)quinolin-2-yl]-3-methyl-pentan-3-ol

Systemtic Name: 1-[3-(2,4-dioctoxyphenyl)quinolin-2-yl]-3-methyl-pentan-3-ol Openeye Name: 1-[3-(2,4-dioctoxyphenyl)-2-quinolyl]-3-methyl-pentan-3-ol CAS Name: 1-[3-(2,4-dioctoxyphenyl)-2-quinolinyl]-3-methyl-3-pentanol IUPAC Name: 1-[3-(2,4-dioctoxyphenyl)quinolin-2-yl]-3-methylpentan-3-ol Traditional Name: 1-[3-(2,4-dioctoxyphenyl)-2-quinolyl]-3-methyl-pentan-3-ol Formula: C37H55NO3 MolecularWeight: 561.8375

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)C2=CC3=CC=CC=C3N=C2CCC(C)(CC)O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)C2=CC3=CC=CC=C3N=C2CCC(C)(CC)O)OCCCCCCCC

InChI

InChI=1S/C37H55NO3/c1-5-8-10-12-14-18-26-40-31-22-23-32(36(29-31)41-27-19-15-13-11-9-6-2)33-28-30-20-16-17-21-34(30)38-35(33)24-25-37(4,39)7-3/h16-17,20-23,28-29,39H,5-15,18-19,24-27H2,1-4H3