2-(3,4-dimethoxyphenyl)ethyl (2S)-1-(2-benzamido-4-methyl-pentanoyl)pyrrolidine-2-carboxylate

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl (2S)-1-(2-benzamido-4-methyl-pentanoyl)pyrrolidine-2-carboxylate Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl (2S)-1-(2-benzamido-4-methyl-pentanoyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(2-benzamido-4-methyl-1-oxopentyl)-2-pyrrolidinecarboxylic acid 2-(3,4-dimethoxyphenyl)ethyl ester IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl (2S)-1-(2-benzamido-4-methylpentanoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-benzamido-4-methyl-pentanoyl)pyrrolidine-2-carboxylic acid homoveratryl ester Formula: C28H36N2O6 MolecularWeight: 496.59524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)OCCC2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)N1CCC[C@H]1C(=O)OCCC2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H36N2O6/c1-19(2)17-22(29-26(31)21-9-6-5-7-10-21)27(32)30-15-8-11-23(30)28(33)36-16-14-20-12-13-24(34-3)25(18-20)35-4/h5-7,9-10,12-13,18-19,22-23H,8,11,14-17H2,1-4H3,(H,29,31)/t22?,23-/m0/s1