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2-[3-(1-adamantylmethylcarbamoyl)-4-methyl-phenyl]benzoic acid

2-[3-(1-adamantylmethylcarbamoyl)-4-methyl-phenyl]benzoic acid

Systemtic Name:2-[3-(1-adamantylmethylcarbamoyl)-4-methyl-phenyl]benzoic acid
Openeye Name:2-[3-(1-adamantylmethylcarbamoyl)-4-methyl-phenyl]benzoic acid
CAS Name:2-[3-[(1-adamantylmethylamino)-oxomethyl]-4-methylphenyl]benzoic acid
IUPAC Name:2-[3-(1-adamantylmethylcarbamoyl)-4-methylphenyl]benzoic acid
Traditional Name:2-[3-(1-adamantylmethylcarbamoyl)-4-methyl-phenyl]benzoic acid
Formula: C26H29NO3
MolecularWeight: 403.51336
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=CC=C2C(=O)O)C(=O)NCC34CC5CC(C3)CC(C5)C4


Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=CC=C2C(=O)O)C(=O)NCC34CC5CC(C3)CC(C5)C4


InChI

InChI=1S/C26H29NO3/c1-16-6-7-20(21-4-2-3-5-22(21)25(29)30)11-23(16)24(28)27-15-26-12-17-8-18(13-26)10-19(9-17)14-26/h2-7,11,17-19H,8-10,12-15H2,1H3,(H,27,28)(H,29,30)


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