2-(1-adamantylmethyl)-1-methyl-5-phenyl-pyrrole-3-carboxylic acid

Systemtic Name: 2-(1-adamantylmethyl)-1-methyl-5-phenyl-pyrrole-3-carboxylic acid Openeye Name: 2-(1-adamantylmethyl)-1-methyl-5-phenyl-pyrrole-3-carboxylic acid CAS Name: 2-(1-adamantylmethyl)-1-methyl-5-phenyl-3-pyrrolecarboxylic acid IUPAC Name: 2-(1-adamantylmethyl)-1-methyl-5-phenylpyrrole-3-carboxylic acid Traditional Name: 2-(1-adamantylmethyl)-1-methyl-5-phenyl-pyrrole-3-carboxylic acid Formula: C23H27NO2 MolecularWeight: 349.46598

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1CC23CC4CC(C2)CC(C4)C3)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CN1C(=CC(=C1CC23CC4CC(C2)CC(C4)C3)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C23H27NO2/c1-24-20(18-5-3-2-4-6-18)10-19(22(25)26)21(24)14-23-11-15-7-16(12-23)9-17(8-15)13-23/h2-6,10,15-17H,7-9,11-14H2,1H3,(H,25,26)