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

Systemtic Name: 1-[4-(acetyloxymethyl)phenyl]-3-(1-adamantyl)naphthalene-2-carboxylic acid Openeye Name: 1-[4-(acetoxymethyl)phenyl]-3-(1-adamantyl)naphthalene-2-carboxylic acid CAS Name: 1-[4-(acetyloxymethyl)phenyl]-3-(1-adamantyl)-2-naphthalenecarboxylic acid IUPAC Name: 1-[4-(acetyloxymethyl)phenyl]-3-(1-adamantyl)naphthalene-2-carboxylic acid Traditional Name: 1-[4-(acetoxymethyl)phenyl]-3-(1-adamantyl)-2-naphthoic acid Formula: C30H30O4 MolecularWeight: 454.5568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(C=C1)C2=C(C(=CC3=CC=CC=C32)C45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

CC(=O)OCC1=CC=C(C=C1)C2=C(C(=CC3=CC=CC=C32)C45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

InChI=1S/C30H30O4/c1-18(31)34-17-19-6-8-23(9-7-19)27-25-5-3-2-4-24(25)13-26(28(27)29(32)33)30-14-20-10-21(15-30)12-22(11-20)16-30/h2-9,13,20-22H,10-12,14-17H2,1H3,(H,32,33)