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

Systemtic Name: methyl 2-(3-bromanyl-4-methoxy-phenyl)-1-cyclohexylcarbonyl-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: methyl 2-(3-bromo-4-methoxy-phenyl)-1-(cyclohexanecarbonyl)-5-(p-tolylmethylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 2-(3-bromo-4-methoxyphenyl)-1-[cyclohexyl(oxo)methyl]-5-[[(4-methylphenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-bromo-4-methoxyphenyl)-1-(cyclohexanecarbonyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 2-(3-bromo-4-methoxy-phenyl)-1-(cyclohexanecarbonyl)-5-[(4-methylbenzyl)carbamoyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C29H35BrN2O5 MolecularWeight: 571.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3CCCCC3)C4=CC(=C(C=C4)OC)Br)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3CCCCC3)C4=CC(=C(C=C4)OC)Br)C(=O)OC

InChI

InChI=1S/C29H35BrN2O5/c1-18-9-11-19(12-10-18)17-31-27(33)24-16-22(29(35)37-3)26(21-13-14-25(36-2)23(30)15-21)32(24)28(34)20-7-5-4-6-8-20/h9-15,20,22,24,26H,4-8,16-17H2,1-3H3,(H,31,33)