methyl 3-[[(3S,5S)-5-pyrrolidin-1-ylcarbonylpyrrolidin-3-yl]methylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[(3S,5S)-5-pyrrolidin-1-ylcarbonylpyrrolidin-3-yl]methylcarbamoyl]benzoate Openeye Name: methyl 3-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methylcarbamoyl]benzoate CAS Name: 3-[oxo-[[(3S,5S)-5-[oxo(1-pyrrolidinyl)methyl]-3-pyrrolidinyl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methylcarbamoyl]benzoate Traditional Name: 3-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methylcarbamoyl]benzoic acid methyl ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NCC2CC(NC2)C(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC[C@H]2C[C@H](NC2)C(=O)N3CCCC3

InChI

InChI=1S/C19H25N3O4/c1-26-19(25)15-6-4-5-14(10-15)17(23)21-12-13-9-16(20-11-13)18(24)22-7-2-3-8-22/h4-6,10,13,16,20H,2-3,7-9,11-12H2,1H3,(H,21,23)/t13-,16-/m0/s1