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

Systemtic Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(1-adamantylcarbamoyl)benzoate Openeye Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(1-adamantylcarbamoyl)benzoate CAS Name: 2-[(1-adamantylamino)-oxomethyl]benzoic 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-adamantylcarbamoyl)benzoate Traditional Name: 2-(1-adamantylcarbamoyl)benzoic acid [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C32H34N2O4 MolecularWeight: 510.62336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=CC=C3C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=CC=C3C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C32H34N2O4/c1-20-12-28(21(2)34(20)25-8-4-3-5-9-25)29(35)19-38-31(37)27-11-7-6-10-26(27)30(36)33-32-16-22-13-23(17-32)15-24(14-22)18-32/h3-12,22-24H,13-19H2,1-2H3,(H,33,36)