6-[[4-(1-adamantylcarbamoyl)phenyl]methoxy]-3,4-dihydronaphthalene-2-carboxylic acid

Systemtic Name: 6-[[4-(1-adamantylcarbamoyl)phenyl]methoxy]-3,4-dihydronaphthalene-2-carboxylic acid Openeye Name: 6-[[4-(1-adamantylcarbamoyl)phenyl]methoxy]-3,4-dihydronaphthalene-2-carboxylic acid CAS Name: 6-[[4-[(1-adamantylamino)-oxomethyl]phenyl]methoxy]-3,4-dihydronaphthalene-2-carboxylic acid IUPAC Name: 6-[[4-(1-adamantylcarbamoyl)phenyl]methoxy]-3,4-dihydronaphthalene-2-carboxylic acid Traditional Name: 6-[4-(1-adamantylcarbamoyl)benzyl]oxy-3,4-dihydronaphthalene-2-carboxylic acid Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)OCC3=CC=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5)C=C1C(=O)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)OCC3=CC=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5)C=C1C(=O)O

InChI

InChI=1S/C29H31NO4/c31-27(30-29-14-19-9-20(15-29)11-21(10-19)16-29)22-3-1-18(2-4-22)17-34-26-8-7-23-12-25(28(32)33)6-5-24(23)13-26/h1-4,7-8,12-13,19-21H,5-6,9-11,14-17H2,(H,30,31)(H,32,33)