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

Systemtic Name: methyl 2-(3-bromanyl-4-methoxy-phenyl)-1-(3-methylbutanoyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: methyl 2-(3-bromo-4-methoxy-phenyl)-1-(3-methylbutanoyl)-5-(p-tolylmethylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 2-(3-bromo-4-methoxyphenyl)-1-(3-methyl-1-oxobutyl)-5-[[(4-methylphenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-bromo-4-methoxyphenyl)-1-(3-methylbutanoyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 2-(3-bromo-4-methoxy-phenyl)-1-isovaleryl-5-[(4-methylbenzyl)carbamoyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C27H33BrN2O5 MolecularWeight: 545.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)CC(C)C)C3=CC(=C(C=C3)OC)Br)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)CC(C)C)C3=CC(=C(C=C3)OC)Br)C(=O)OC

InChI

InChI=1S/C27H33BrN2O5/c1-16(2)12-24(31)30-22(26(32)29-15-18-8-6-17(3)7-9-18)14-20(27(33)35-5)25(30)19-10-11-23(34-4)21(28)13-19/h6-11,13,16,20,22,25H,12,14-15H2,1-5H3,(H,29,32)