2-[butyl(phenyl)amino]-3-methyl-6-(2-methylheptan-2-yl)-2,3-dihydro-1-benzofuran-5-ol

Systemtic Name: 2-[butyl(phenyl)amino]-3-methyl-6-(2-methylheptan-2-yl)-2,3-dihydro-1-benzofuran-5-ol Openeye Name: 2-(N-butylanilino)-6-(1,1-dimethylhexyl)-3-methyl-2,3-dihydrobenzofuran-5-ol CAS Name: 2-(N-butylanilino)-3-methyl-6-(2-methylheptan-2-yl)-2,3-dihydrobenzofuran-5-ol IUPAC Name: 2-(N-butylanilino)-3-methyl-6-(2-methylheptan-2-yl)-2,3-dihydro-1-benzofuran-5-ol Traditional Name: 2-(N-butylanilino)-6-(1,1-dimethylhexyl)-3-methyl-coumaran-5-ol Formula: C27H39NO2 MolecularWeight: 409.60406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=C(C=C2C(C(OC2=C1)N(CCCC)C3=CC=CC=C3)C)O

Isomeric SMILES

CCCCCC(C)(C)C1=C(C=C2C(C(OC2=C1)N(CCCC)C3=CC=CC=C3)C)O

InChI

InChI=1S/C27H39NO2/c1-6-8-13-16-27(4,5)23-19-25-22(18-24(23)29)20(3)26(30-25)28(17-9-7-2)21-14-11-10-12-15-21/h10-12,14-15,18-20,26,29H,6-9,13,16-17H2,1-5H3