methyl 4-ethyl-5-(3-methylbutanoyl)-1-(phenylmethyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl 4-ethyl-5-(3-methylbutanoyl)-1-(phenylmethyl)pyrrolidine-2-carboxylate Openeye Name: methyl 1-benzyl-4-ethyl-5-(3-methylbutanoyl)pyrrolidine-2-carboxylate CAS Name: 4-ethyl-5-(3-methyl-1-oxobutyl)-1-(phenylmethyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-4-ethyl-5-(3-methylbutanoyl)pyrrolidine-2-carboxylate Traditional Name: 1-benzyl-4-ethyl-5-isovaleryl-pyrrolidine-2-carboxylic acid methyl ester Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(N(C1C(=O)CC(C)C)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCC1CC(N(C1C(=O)CC(C)C)CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H29NO3/c1-5-16-12-17(20(23)24-4)21(13-15-9-7-6-8-10-15)19(16)18(22)11-14(2)3/h6-10,14,16-17,19H,5,11-13H2,1-4H3