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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C=C(C=C1)C2=C(C=CC3=CC=CC=C32)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)CCC1=C(C=C(C=C1)C2=C(C=CC3=CC=CC=C32)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H32O4/c1-35-28(32)11-9-23-6-7-24(29-25-5-3-2-4-22(25)8-10-26(29)30(33)34)15-27(23)31-16-19-12-20(17-31)14-21(13-19)18-31/h2-8,10,15,19-21H,9,11-14,16-18H2,1H3,(H,33,34)