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

Systemtic Name: (phenylmethyl) 6-[3-(1-adamantyl)-4-(3-oxidanylpropyl)phenyl]naphthalene-2-carboxylate Openeye Name: benzyl 6-[3-(1-adamantyl)-4-(3-hydroxypropyl)phenyl]naphthalene-2-carboxylate CAS Name: 6-[3-(1-adamantyl)-4-(3-hydroxypropyl)phenyl]-2-naphthalenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[3-(1-adamantyl)-4-(3-hydroxypropyl)phenyl]naphthalene-2-carboxylate Traditional Name: 6-[3-(1-adamantyl)-4-(3-hydroxypropyl)phenyl]naphthalene-2-carboxylic acid benzyl ester Formula: C37H38O3 MolecularWeight: 530.69582

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)OCC7=CC=CC=C7)CCCO

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)OCC7=CC=CC=C7)CCCO

InChI

InChI=1S/C37H38O3/c38-14-4-7-29-8-9-33(20-35(29)37-21-26-15-27(22-37)17-28(16-26)23-37)31-10-11-32-19-34(13-12-30(32)18-31)36(39)40-24-25-5-2-1-3-6-25/h1-3,5-6,8-13,18-20,26-28,38H,4,7,14-17,21-24H2