ethyl 6-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate

Systemtic Name: ethyl 6-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate Openeye Name: ethyl 6-[3-(1-adamantyl)-4-benzyloxy-phenyl]-2,5,7,8-tetramethyl-chromane-2-carboxylate CAS Name: 6-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate Traditional Name: 6-[3-(1-adamantyl)-4-benzoxy-phenyl]-2,5,7,8-tetramethyl-chroman-2-carboxylic acid ethyl ester Formula: C39H46O4 MolecularWeight: 578.78014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC2=C(O1)C(=C(C(=C2C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6)C)C)C

Isomeric SMILES

CCOC(=O)C1(CCC2=C(O1)C(=C(C(=C2C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6)C)C)C

InChI

InChI=1S/C39H46O4/c1-6-41-37(40)38(5)15-14-32-26(4)35(24(2)25(3)36(32)43-38)31-12-13-34(42-23-27-10-8-7-9-11-27)33(19-31)39-20-28-16-29(21-39)18-30(17-28)22-39/h7-13,19,28-30H,6,14-18,20-23H2,1-5H3