methyl 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3,4-dihydrochromene-4-carboxylate

Systemtic Name: methyl 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3,4-dihydrochromene-4-carboxylate Openeye Name: methyl 5-benzyloxy-7-(1,1-dimethylheptyl)-2,2-dimethyl-chromane-4-carboxylate CAS Name: 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid methyl ester IUPAC Name: methyl 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3,4-dihydrochromene-4-carboxylate Traditional Name: 5-benzoxy-7-(1,1-dimethylheptyl)-2,2-dimethyl-chroman-4-carboxylic acid methyl ester Formula: C29H40O4 MolecularWeight: 452.6255

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC2=C(C(CC(O2)(C)C)C(=O)OC)C(=C1)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC2=C(C(CC(O2)(C)C)C(=O)OC)C(=C1)OCC3=CC=CC=C3

InChI

InChI=1S/C29H40O4/c1-7-8-9-13-16-28(2,3)22-17-24(32-20-21-14-11-10-12-15-21)26-23(27(30)31-6)19-29(4,5)33-25(26)18-22/h10-12,14-15,17-18,23H,7-9,13,16,19-20H2,1-6H3