methyl 2-(3-bromanyl-4-methoxy-phenyl)-4-methyl-1-(4-methylphenyl)carbonyl-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate

Systemtic Name: methyl 2-(3-bromanyl-4-methoxy-phenyl)-4-methyl-1-(4-methylphenyl)carbonyl-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: methyl 2-(3-bromo-4-methoxy-phenyl)-4-methyl-1-(4-methylbenzoyl)-5-(p-tolylmethylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 2-(3-bromo-4-methoxyphenyl)-4-methyl-5-[[(4-methylphenyl)methylamino]-oxomethyl]-1-[(4-methylphenyl)-oxomethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-bromo-4-methoxyphenyl)-4-methyl-1-(4-methylbenzoyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 2-(3-bromo-4-methoxy-phenyl)-4-methyl-5-[(4-methylbenzyl)carbamoyl]-1-p-toluoyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C31H33BrN2O5 MolecularWeight: 593.50812

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(N(C1C(=O)NCC2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C)C4=CC(=C(C=C4)OC)Br)C(=O)OC

Isomeric SMILES

CC1C(C(N(C1C(=O)NCC2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C)C4=CC(=C(C=C4)OC)Br)C(=O)OC

InChI

InChI=1S/C31H33BrN2O5/c1-18-6-10-21(11-7-18)17-33-29(35)27-20(3)26(31(37)39-5)28(23-14-15-25(38-4)24(32)16-23)34(27)30(36)22-12-8-19(2)9-13-22/h6-16,20,26-28H,17H2,1-5H3,(H,33,35)