[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate

Systemtic Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate Openeye Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C26H31NO3 MolecularWeight: 405.52924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H31NO3/c1-17-8-23(18(2)27(17)22-6-4-3-5-7-22)24(28)16-30-25(29)15-26-12-19-9-20(13-26)11-21(10-19)14-26/h3-8,19-21H,9-16H2,1-2H3