methyl (2S,4S,5R)-4-(4-ethylpiperazin-1-yl)carbonyl-1,2-dimethyl-5-(2-methylphenyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S,5R)-4-(4-ethylpiperazin-1-yl)carbonyl-1,2-dimethyl-5-(2-methylphenyl)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S,5R)-4-(4-ethylpiperazine-1-carbonyl)-1,2-dimethyl-5-(o-tolyl)pyrrolidine-2-carboxylate CAS Name: (2S,4S,5R)-4-[(4-ethyl-1-piperazinyl)-oxomethyl]-1,2-dimethyl-5-(2-methylphenyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-4-(4-ethylpiperazine-1-carbonyl)-1,2-dimethyl-5-(2-methylphenyl)pyrrolidine-2-carboxylate Traditional Name: (2S,4S,5R)-4-(4-ethylpiperazine-1-carbonyl)-1,2-dimethyl-5-(o-tolyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2CC(N(C2C3=CC=CC=C3C)C)(C)C(=O)OC

Isomeric SMILES

CCN1CCN(CC1)C(=O)[C@H]2C[C@@](N([C@H]2C3=CC=CC=C3C)C)(C)C(=O)OC

InChI

InChI=1S/C22H33N3O3/c1-6-24-11-13-25(14-12-24)20(26)18-15-22(3,21(27)28-5)23(4)19(18)17-10-8-7-9-16(17)2/h7-10,18-19H,6,11-15H2,1-5H3/t18-,19-,22-/m0/s1