(phenylmethyl) 6-[3-(1-adamantyl)-4-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]naphthalene-2-carboxylate

Systemtic Name: (phenylmethyl) 6-[3-(1-adamantyl)-4-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]naphthalene-2-carboxylate Openeye Name: benzyl 6-[3-(1-adamantyl)-4-(2-methoxy-2-oxo-ethoxy)phenyl]naphthalene-2-carboxylate CAS Name: 6-[3-(1-adamantyl)-4-(2-methoxy-2-oxoethoxy)phenyl]-2-naphthalenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[3-(1-adamantyl)-4-(2-methoxy-2-oxoethoxy)phenyl]naphthalene-2-carboxylate Traditional Name: 6-[3-(1-adamantyl)-4-(2-keto-2-methoxy-ethoxy)phenyl]naphthalene-2-carboxylic acid benzyl ester Formula: C37H36O5 MolecularWeight: 560.67874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=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

COC(=O)COC1=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/C37H36O5/c1-40-35(38)23-41-34-12-11-31(18-33(34)37-19-25-13-26(20-37)15-27(14-25)21-37)29-7-8-30-17-32(10-9-28(30)16-29)36(39)42-22-24-5-3-2-4-6-24/h2-12,16-18,25-27H,13-15,19-23H2,1H3