[2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-keto-2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H31NO4/c1-16-8-23(17(2)27(16)21-4-6-22(30-3)7-5-21)24(28)15-31-25(29)26-12-18-9-19(13-26)11-20(10-18)14-26/h4-8,18-20H,9-15H2,1-3H3