(2,5,5-trimethyl-4-phenyl-3,4-dihydropyrrol-3-yl) benzoate

Systemtic Name: (2,5,5-trimethyl-4-phenyl-3,4-dihydropyrrol-3-yl) benzoate Openeye Name: (2,5,5-trimethyl-4-phenyl-3,4-dihydropyrrol-3-yl) benzoate CAS Name: benzoic acid (2,5,5-trimethyl-4-phenyl-3,4-dihydropyrrol-3-yl) ester IUPAC Name: (2,5,5-trimethyl-4-phenyl-3,4-dihydropyrrol-3-yl) benzoate Traditional Name: benzoic acid (2,5,5-trimethyl-4-phenyl-1-pyrrolin-3-yl) ester Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(C(C1OC(=O)C2=CC=CC=C2)C3=CC=CC=C3)(C)C

Isomeric SMILES

CC1=NC(C(C1OC(=O)C2=CC=CC=C2)C3=CC=CC=C3)(C)C

InChI

InChI=1S/C20H21NO2/c1-14-18(23-19(22)16-12-8-5-9-13-16)17(20(2,3)21-14)15-10-6-4-7-11-15/h4-13,17-18H,1-3H3