ethyl 6-[5-(1-adamantyl)-2-methyl-4-phenylmethoxy-phenyl]naphthalene-2-carboxylate

Systemtic Name: ethyl 6-[5-(1-adamantyl)-2-methyl-4-phenylmethoxy-phenyl]naphthalene-2-carboxylate Openeye Name: ethyl 6-[5-(1-adamantyl)-4-benzyloxy-2-methyl-phenyl]naphthalene-2-carboxylate CAS Name: 6-[5-(1-adamantyl)-2-methyl-4-phenylmethoxyphenyl]-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[5-(1-adamantyl)-2-methyl-4-phenylmethoxyphenyl]naphthalene-2-carboxylate Traditional Name: 6-[5-(1-adamantyl)-4-benzoxy-2-methyl-phenyl]naphthalene-2-carboxylic acid ethyl ester Formula: C37H38O3 MolecularWeight: 530.69582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3=CC(=C(C=C3C)OCC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3=CC(=C(C=C3C)OCC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C37H38O3/c1-3-39-36(38)32-12-10-29-17-31(11-9-30(29)18-32)33-19-34(37-20-26-14-27(21-37)16-28(15-26)22-37)35(13-24(33)2)40-23-25-7-5-4-6-8-25/h4-13,17-19,26-28H,3,14-16,20-23H2,1-2H3