3-(1-adamantyl)-1-[4-(1-methoxy-1-oxidanylidene-propan-2-yl)phenyl]naphthalene-2-carboxylic acid

Systemtic Name: 3-(1-adamantyl)-1-[4-(1-methoxy-1-oxidanylidene-propan-2-yl)phenyl]naphthalene-2-carboxylic acid Openeye Name: 3-(1-adamantyl)-1-[4-(2-methoxy-1-methyl-2-oxo-ethyl)phenyl]naphthalene-2-carboxylic acid CAS Name: 3-(1-adamantyl)-1-[4-(1-methoxy-1-oxopropan-2-yl)phenyl]-2-naphthalenecarboxylic acid IUPAC Name: 3-(1-adamantyl)-1-[4-(1-methoxy-1-oxopropan-2-yl)phenyl]naphthalene-2-carboxylic acid Traditional Name: 3-(1-adamantyl)-1-[4-(2-keto-2-methoxy-1-methyl-ethyl)phenyl]-2-naphthoic acid Formula: C31H32O4 MolecularWeight: 468.58338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H32O4/c1-18(30(34)35-2)22-7-9-23(10-8-22)27-25-6-4-3-5-24(25)14-26(28(27)29(32)33)31-15-19-11-20(16-31)13-21(12-19)17-31/h3-10,14,18-21H,11-13,15-17H2,1-2H3,(H,32,33)