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

Systemtic Name: methyl 4-[7-(1-adamantyl)-1-(6-methoxyhexoxy)naphthalen-2-yl]benzoate Openeye Name: methyl 4-[7-(1-adamantyl)-1-(6-methoxyhexoxy)-2-naphthyl]benzoate CAS Name: 4-[7-(1-adamantyl)-1-(6-methoxyhexoxy)-2-naphthalenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[7-(1-adamantyl)-1-(6-methoxyhexoxy)naphthalen-2-yl]benzoate Traditional Name: 4-[7-(1-adamantyl)-1-(6-methoxyhexoxy)-2-naphthyl]benzoic acid methyl ester Formula: C35H42O4 MolecularWeight: 526.70558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCOC1=C(C=CC2=C1C=C(C=C2)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)C(=O)OC

Isomeric SMILES

COCCCCCCOC1=C(C=CC2=C1C=C(C=C2)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)C(=O)OC

InChI

InChI=1S/C35H42O4/c1-37-15-5-3-4-6-16-39-33-31(27-7-9-29(10-8-27)34(36)38-2)14-12-28-11-13-30(20-32(28)33)35-21-24-17-25(22-35)19-26(18-24)23-35/h7-14,20,24-26H,3-6,15-19,21-23H2,1-2H3