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

Systemtic Name: methyl 2-(3-bromanyl-4-methoxy-phenyl)-1-(3-cyclopentylpropanoyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: methyl 2-(3-bromo-4-methoxy-phenyl)-1-(3-cyclopentylpropanoyl)-5-(p-tolylmethylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 2-(3-bromo-4-methoxyphenyl)-1-(3-cyclopentyl-1-oxopropyl)-5-[[(4-methylphenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-bromo-4-methoxyphenyl)-1-(3-cyclopentylpropanoyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 2-(3-bromo-4-methoxy-phenyl)-1-(3-cyclopentylpropanoyl)-5-[(4-methylbenzyl)carbamoyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C30H37BrN2O5 MolecularWeight: 585.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)CCC3CCCC3)C4=CC(=C(C=C4)OC)Br)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)CCC3CCCC3)C4=CC(=C(C=C4)OC)Br)C(=O)OC

InChI

InChI=1S/C30H37BrN2O5/c1-19-8-10-21(11-9-19)18-32-29(35)25-17-23(30(36)38-3)28(22-13-14-26(37-2)24(31)16-22)33(25)27(34)15-12-20-6-4-5-7-20/h8-11,13-14,16,20,23,25,28H,4-7,12,15,17-18H2,1-3H3,(H,32,35)