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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCC1=CC=C(C=C1)C2=C(C(=CC3=CC=CC=C32)C45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

CC(=O)OCCCC1=CC=C(C=C1)C2=C(C(=CC3=CC=CC=C32)C45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

InChI=1S/C32H34O4/c1-20(33)36-12-4-5-21-8-10-25(11-9-21)29-27-7-3-2-6-26(27)16-28(30(29)31(34)35)32-17-22-13-23(18-32)15-24(14-22)19-32/h2-3,6-11,16,22-24H,4-5,12-15,17-19H2,1H3,(H,34,35)