ethyl 6-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-4-methoxy-naphthalene-2-carboxylate

Systemtic Name: ethyl 6-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-4-methoxy-naphthalene-2-carboxylate Openeye Name: ethyl 6-[3-(1-adamantyl)-4-benzyloxy-phenyl]-4-methoxy-naphthalene-2-carboxylate CAS Name: 6-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-4-methoxy-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-4-methoxynaphthalene-2-carboxylate Traditional Name: 6-[3-(1-adamantyl)-4-benzoxy-phenyl]-4-methoxy-naphthalene-2-carboxylic acid ethyl ester Formula: C37H38O4 MolecularWeight: 546.69522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C=C(C=CC2=C1)C3=CC(=C(C=C3)OCC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6)OC

Isomeric SMILES

CCOC(=O)C1=CC(=C2C=C(C=CC2=C1)C3=CC(=C(C=C3)OCC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6)OC

InChI

InChI=1S/C37H38O4/c1-3-40-36(38)31-16-30-10-9-28(17-32(30)35(19-31)39-2)29-11-12-34(41-23-24-7-5-4-6-8-24)33(18-29)37-20-25-13-26(21-37)15-27(14-25)22-37/h4-12,16-19,25-27H,3,13-15,20-23H2,1-2H3