methyl 5-[(4-methylphenyl)methylcarbamoyl]-2-(2-nitrophenyl)-1-(2-phenoxyethanoyl)pyrrolidine-3-carboxylate

Systemtic Name: methyl 5-[(4-methylphenyl)methylcarbamoyl]-2-(2-nitrophenyl)-1-(2-phenoxyethanoyl)pyrrolidine-3-carboxylate Openeye Name: methyl 2-(2-nitrophenyl)-1-(2-phenoxyacetyl)-5-(p-tolylmethylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 5-[[(4-methylphenyl)methylamino]-oxomethyl]-2-(2-nitrophenyl)-1-(1-oxo-2-phenoxyethyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-methylphenyl)methylcarbamoyl]-2-(2-nitrophenyl)-1-(2-phenoxyacetyl)pyrrolidine-3-carboxylate Traditional Name: 5-[(4-methylbenzyl)carbamoyl]-2-(2-nitrophenyl)-1-(2-phenoxyacetyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C29H29N3O7 MolecularWeight: 531.55646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)COC3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)COC3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C29H29N3O7/c1-19-12-14-20(15-13-19)17-30-28(34)25-16-23(29(35)38-2)27(22-10-6-7-11-24(22)32(36)37)31(25)26(33)18-39-21-8-4-3-5-9-21/h3-15,23,25,27H,16-18H2,1-2H3,(H,30,34)