methyl 4-[7-(1-adamantyl)-6-prop-2-enyl-naphthalen-2-yl]benzoate

Systemtic Name: methyl 4-[7-(1-adamantyl)-6-prop-2-enyl-naphthalen-2-yl]benzoate Openeye Name: methyl 4-[7-(1-adamantyl)-6-allyl-2-naphthyl]benzoate CAS Name: 4-[7-(1-adamantyl)-6-prop-2-enyl-2-naphthalenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[7-(1-adamantyl)-6-prop-2-enylnaphthalen-2-yl]benzoate Traditional Name: 4-[7-(1-adamantyl)-6-allyl-2-naphthyl]benzoic acid methyl ester Formula: C31H32O2 MolecularWeight: 436.58458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC3=CC(=C(C=C3C=C2)CC=C)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC3=CC(=C(C=C3C=C2)CC=C)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H32O2/c1-3-4-27-14-26-10-9-25(23-5-7-24(8-6-23)30(32)33-2)15-28(26)16-29(27)31-17-20-11-21(18-31)13-22(12-20)19-31/h3,5-10,14-16,20-22H,1,4,11-13,17-19H2,2H3