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2-[3-(1-adamantylmethylcarbamoyl)indol-1-yl]benzoic acid

2-[3-(1-adamantylmethylcarbamoyl)indol-1-yl]benzoic acid

Systemtic Name:2-[3-(1-adamantylmethylcarbamoyl)indol-1-yl]benzoic acid
Openeye Name:2-[3-(1-adamantylmethylcarbamoyl)indol-1-yl]benzoic acid
CAS Name:2-[3-[(1-adamantylmethylamino)-oxomethyl]-1-indolyl]benzoic acid
IUPAC Name:2-[3-(1-adamantylmethylcarbamoyl)indol-1-yl]benzoic acid
Traditional Name:2-[3-(1-adamantylmethylcarbamoyl)indol-1-yl]benzoic acid
Formula: C27H28N2O3
MolecularWeight: 428.52282
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CN(C5=CC=CC=C54)C6=CC=CC=C6C(=O)O


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CN(C5=CC=CC=C54)C6=CC=CC=C6C(=O)O


InChI

InChI=1S/C27H28N2O3/c30-25(28-16-27-12-17-9-18(13-27)11-19(10-17)14-27)22-15-29(23-7-3-1-5-20(22)23)24-8-4-2-6-21(24)26(31)32/h1-8,15,17-19H,9-14,16H2,(H,28,30)(H,31,32)


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