(phenylmethyl) 6-[4-(3-acetyloxypropyl)-3-(1-adamantyl)phenyl]naphthalene-2-carboxylate

Systemtic Name: (phenylmethyl) 6-[4-(3-acetyloxypropyl)-3-(1-adamantyl)phenyl]naphthalene-2-carboxylate Openeye Name: benzyl 6-[4-(3-acetoxypropyl)-3-(1-adamantyl)phenyl]naphthalene-2-carboxylate CAS Name: 6-[4-(3-acetyloxypropyl)-3-(1-adamantyl)phenyl]-2-naphthalenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[4-(3-acetyloxypropyl)-3-(1-adamantyl)phenyl]naphthalene-2-carboxylate Traditional Name: 6-[4-(3-acetoxypropyl)-3-(1-adamantyl)phenyl]naphthalene-2-carboxylic acid benzyl ester Formula: C39H40O4 MolecularWeight: 572.7325

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)OCC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC(=O)OCCCC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)OCC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C39H40O4/c1-26(40)42-15-5-8-31-9-10-35(21-37(31)39-22-28-16-29(23-39)18-30(17-28)24-39)33-11-12-34-20-36(14-13-32(34)19-33)38(41)43-25-27-6-3-2-4-7-27/h2-4,6-7,9-14,19-21,28-30H,5,8,15-18,22-25H2,1H3