methyl 2,5-dimethyl-4-[2-[(4-tritiophenyl)methyl]phenyl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,5-dimethyl-4-[2-[(4-tritiophenyl)methyl]phenyl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,5-dimethyl-4-[2-[(4-tritiophenyl)methyl]benzoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[oxo-[2-[(4-tritiophenyl)methyl]phenyl]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,5-dimethyl-4-[2-[(4-tritiophenyl)methyl]benzoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-(4-tritiobenzyl)benzoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H21NO3 MolecularWeight: 349.415149

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=CC=CC=C2CC3=CC=CC=C3

Isomeric SMILES

[3H]C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)C3=C(NC(=C3C(=O)OC)C)C

InChI

InChI=1S/C22H21NO3/c1-14-19(20(15(2)23-14)22(25)26-3)21(24)18-12-8-7-11-17(18)13-16-9-5-4-6-10-16/h4-12,23H,13H2,1-3H3/i4T