methyl 6-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylate

Systemtic Name: methyl 6-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylate Openeye Name: methyl 6-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylate CAS Name: 6-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 6-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylate Traditional Name: 6-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]naphthalene-2-carboxylic acid methyl ester Formula: C29H28O4 MolecularWeight: 440.53022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3=CC(=C4C(=C3)OCO4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3=CC(=C4C(=C3)OCO4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C29H28O4/c1-31-28(30)23-5-4-20-9-22(3-2-21(20)10-23)24-11-25(27-26(12-24)32-16-33-27)29-13-17-6-18(14-29)8-19(7-17)15-29/h2-5,9-12,17-19H,6-8,13-16H2,1H3