methyl (2S,4S)-1-[(2,4-dimethylphenyl)methyl]-4-(pyridin-2-ylcarbonylamino)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-1-[(2,4-dimethylphenyl)methyl]-4-(pyridin-2-ylcarbonylamino)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-1-[(2,4-dimethylphenyl)methyl]-4-(pyridine-2-carbonylamino)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-1-[(2,4-dimethylphenyl)methyl]-4-[[oxo(2-pyridinyl)methyl]amino]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-[(2,4-dimethylphenyl)methyl]-4-(pyridine-2-carbonylamino)pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-(2,4-dimethylbenzyl)-4-picolinamido-pyrrolidine-2-carboxylic acid methyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2CC(CC2C(=O)OC)NC(=O)C3=CC=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN2C[C@H](C[C@H]2C(=O)OC)NC(=O)C3=CC=CC=N3)C

InChI

InChI=1S/C21H25N3O3/c1-14-7-8-16(15(2)10-14)12-24-13-17(11-19(24)21(26)27-3)23-20(25)18-6-4-5-9-22-18/h4-10,17,19H,11-13H2,1-3H3,(H,23,25)/t17-,19-/m0/s1