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

Systemtic Name: methyl 2-(3-bromanyl-4-methoxy-phenyl)-5-[(4-methylphenyl)methylcarbamoyl]-1-pyridin-3-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: methyl 2-(3-bromo-4-methoxy-phenyl)-5-(p-tolylmethylcarbamoyl)-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylate CAS Name: 2-(3-bromo-4-methoxyphenyl)-5-[[(4-methylphenyl)methylamino]-oxomethyl]-1-[oxo(3-pyridinyl)methyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-bromo-4-methoxyphenyl)-5-[(4-methylphenyl)methylcarbamoyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylate Traditional Name: 2-(3-bromo-4-methoxy-phenyl)-5-[(4-methylbenzyl)carbamoyl]-1-nicotinoyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C28H28BrN3O5 MolecularWeight: 566.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3=CN=CC=C3)C4=CC(=C(C=C4)OC)Br)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3=CN=CC=C3)C4=CC(=C(C=C4)OC)Br)C(=O)OC

InChI

InChI=1S/C28H28BrN3O5/c1-17-6-8-18(9-7-17)15-31-26(33)23-14-21(28(35)37-3)25(19-10-11-24(36-2)22(29)13-19)32(23)27(34)20-5-4-12-30-16-20/h4-13,16,21,23,25H,14-15H2,1-3H3,(H,31,33)