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

Systemtic Name: 3-(1-adamantyl)-1-[4-(3-methoxy-2-oxidanyl-propyl)phenyl]naphthalene-2-carboxylic acid Openeye Name: 3-(1-adamantyl)-1-[4-(2-hydroxy-3-methoxy-propyl)phenyl]naphthalene-2-carboxylic acid CAS Name: 3-(1-adamantyl)-1-[4-(2-hydroxy-3-methoxypropyl)phenyl]-2-naphthalenecarboxylic acid IUPAC Name: 3-(1-adamantyl)-1-[4-(2-hydroxy-3-methoxypropyl)phenyl]naphthalene-2-carboxylic acid Traditional Name: 3-(1-adamantyl)-1-[4-(2-hydroxy-3-methoxy-propyl)phenyl]-2-naphthoic acid Formula: C31H34O4 MolecularWeight: 470.59926

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Descriptors Computed from Structure

Canonical SMILES:

COCC(CC1=CC=C(C=C1)C2=C(C(=CC3=CC=CC=C32)C45CC6CC(C4)CC(C6)C5)C(=O)O)O

Isomeric SMILES

COCC(CC1=CC=C(C=C1)C2=C(C(=CC3=CC=CC=C32)C45CC6CC(C4)CC(C6)C5)C(=O)O)O

InChI

InChI=1S/C31H34O4/c1-35-18-25(32)13-19-6-8-23(9-7-19)28-26-5-3-2-4-24(26)14-27(29(28)30(33)34)31-15-20-10-21(16-31)12-22(11-20)17-31/h2-9,14,20-22,25,32H,10-13,15-18H2,1H3,(H,33,34)