1-adamantyl 2-methyl-4-oxidanyl-5-phenyl-1H-pyrrole-3-carboxylate

Systemtic Name: 1-adamantyl 2-methyl-4-oxidanyl-5-phenyl-1H-pyrrole-3-carboxylate Openeye Name: 1-adamantyl 4-hydroxy-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate CAS Name: 4-hydroxy-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 4-hydroxy-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 4-hydroxy-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid 1-adamantyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C2=CC=CC=C2)O)C(=O)OC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=C(N1)C2=CC=CC=C2)O)C(=O)OC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H25NO3/c1-13-18(20(24)19(23-13)17-5-3-2-4-6-17)21(25)26-22-10-14-7-15(11-22)9-16(8-14)12-22/h2-6,14-16,23-24H,7-12H2,1H3