4-[8-(1-adamantylmethylcarbamoyl)indolizin-2-yl]benzoic acid

Systemtic Name: 4-[8-(1-adamantylmethylcarbamoyl)indolizin-2-yl]benzoic acid Openeye Name: 4-[8-(1-adamantylmethylcarbamoyl)indolizin-2-yl]benzoic acid CAS Name: 4-[8-[(1-adamantylmethylamino)-oxomethyl]-2-indolizinyl]benzoic acid IUPAC Name: 4-[8-(1-adamantylmethylcarbamoyl)indolizin-2-yl]benzoic acid Traditional Name: 4-[8-(1-adamantylmethylcarbamoyl)indolizin-2-yl]benzoic acid Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC=CN5C4=CC(=C5)C6=CC=C(C=C6)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC=CN5C4=CC(=C5)C6=CC=C(C=C6)C(=O)O

InChI

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