[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2,2-diphenylethanoate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2,2-diphenylethanoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2,2-diphenylacetate CAS Name: 2,2-diphenylacetic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2,2-diphenylacetate Traditional Name: 2,2-diphenylacetic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H25NO3/c1-17-15-22(18(2)26(17)21-13-14-21)23(27)16-29-25(28)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15,21,24H,13-14,16H2,1-2H3