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

Systemtic Name: methyl 2-(3-bromanyl-4-methoxy-phenyl)-1-cyclopropylcarbonyl-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: methyl 2-(3-bromo-4-methoxy-phenyl)-1-(cyclopropanecarbonyl)-5-(p-tolylmethylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 2-(3-bromo-4-methoxyphenyl)-1-[cyclopropyl(oxo)methyl]-5-[[(4-methylphenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-bromo-4-methoxyphenyl)-1-(cyclopropanecarbonyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 2-(3-bromo-4-methoxy-phenyl)-1-(cyclopropanecarbonyl)-5-[(4-methylbenzyl)carbamoyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C26H29BrN2O5 MolecularWeight: 529.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3CC3)C4=CC(=C(C=C4)OC)Br)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3CC3)C4=CC(=C(C=C4)OC)Br)C(=O)OC

InChI

InChI=1S/C26H29BrN2O5/c1-15-4-6-16(7-5-15)14-28-24(30)21-13-19(26(32)34-3)23(29(21)25(31)17-8-9-17)18-10-11-22(33-2)20(27)12-18/h4-7,10-12,17,19,21,23H,8-9,13-14H2,1-3H3,(H,28,30)