5-butan-2-yl-3-methyl-1-(2,4,6-trimethylphenoxy)isoquinoline

Systemtic Name: 5-butan-2-yl-3-methyl-1-(2,4,6-trimethylphenoxy)isoquinoline Openeye Name: 3-methyl-5-sec-butyl-1-(2,4,6-trimethylphenoxy)isoquinoline CAS Name: 5-butan-2-yl-3-methyl-1-(2,4,6-trimethylphenoxy)isoquinoline IUPAC Name: 5-butan-2-yl-3-methyl-1-(2,4,6-trimethylphenoxy)isoquinoline Traditional Name: 3-methyl-5-sec-butyl-1-(2,4,6-trimethylphenoxy)isoquinoline Formula: C23H27NO MolecularWeight: 333.46658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC2=C(N=C(C=C21)C)OC3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCC(C)C1=CC=CC2=C(N=C(C=C21)C)OC3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C23H27NO/c1-7-15(3)19-9-8-10-20-21(19)13-18(6)24-23(20)25-22-16(4)11-14(2)12-17(22)5/h8-13,15H,7H2,1-6H3