ethyl 3-(1-adamantyl)-5-pentoxy-6-(4-prop-2-enoxycarbonylphenyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 3-(1-adamantyl)-5-pentoxy-6-(4-prop-2-enoxycarbonylphenyl)naphthalene-2-carboxylate Openeye Name: ethyl 3-(1-adamantyl)-6-(4-allyloxycarbonylphenyl)-5-pentoxy-naphthalene-2-carboxylate CAS Name: 3-(1-adamantyl)-6-[4-[oxo(prop-2-enoxy)methyl]phenyl]-5-pentoxy-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(1-adamantyl)-5-pentoxy-6-(4-prop-2-enoxycarbonylphenyl)naphthalene-2-carboxylate Traditional Name: 3-(1-adamantyl)-6-(4-allyloxycarbonylphenyl)-5-amoxy-naphthalene-2-carboxylic acid ethyl ester Formula: C38H44O5 MolecularWeight: 580.75296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC2=CC(=C(C=C21)C34CC5CC(C3)CC(C5)C4)C(=O)OCC)C6=CC=C(C=C6)C(=O)OCC=C

Isomeric SMILES

CCCCCOC1=C(C=CC2=CC(=C(C=C21)C34CC5CC(C3)CC(C5)C4)C(=O)OCC)C6=CC=C(C=C6)C(=O)OCC=C

InChI

InChI=1S/C38H44O5/c1-4-7-8-16-42-35-31(28-9-11-29(12-10-28)36(39)43-15-5-2)14-13-30-20-33(37(40)41-6-3)34(21-32(30)35)38-22-25-17-26(23-38)19-27(18-25)24-38/h5,9-14,20-21,25-27H,2,4,6-8,15-19,22-24H2,1,3H3