6-[4-(3-acetyloxypropyl)-3-(1-adamantyl)phenyl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[4-(3-acetyloxypropyl)-3-(1-adamantyl)phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[4-(3-acetoxypropyl)-3-(1-adamantyl)phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[4-(3-acetyloxypropyl)-3-(1-adamantyl)phenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[4-(3-acetyloxypropyl)-3-(1-adamantyl)phenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[4-(3-acetoxypropyl)-3-(1-adamantyl)phenyl]-2-naphthoic acid Formula: C32H34O4 MolecularWeight: 482.60996

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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)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(=O)OCCCC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C32H34O4/c1-20(33)36-10-2-3-24-4-5-28(26-6-7-27-15-29(31(34)35)9-8-25(27)14-26)16-30(24)32-17-21-11-22(18-32)13-23(12-21)19-32/h4-9,14-16,21-23H,2-3,10-13,17-19H2,1H3,(H,34,35)