3-[[(3S,5S)-5-pyrrolidin-1-ylcarbonylpyrrolidin-3-yl]methylcarbamoyl]benzoic acid

Systemtic Name: 3-[[(3S,5S)-5-pyrrolidin-1-ylcarbonylpyrrolidin-3-yl]methylcarbamoyl]benzoic acid Openeye Name: 3-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methylcarbamoyl]benzoic acid CAS Name: 3-[oxo-[[(3S,5S)-5-[oxo(1-pyrrolidinyl)methyl]-3-pyrrolidinyl]methylamino]methyl]benzoic acid IUPAC Name: 3-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methylcarbamoyl]benzoic acid Traditional Name: 3-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methylcarbamoyl]benzoic acid Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC(CN2)CNC(=O)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H]2C[C@@H](CN2)CNC(=O)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C18H23N3O4/c22-16(13-4-3-5-14(9-13)18(24)25)20-11-12-8-15(19-10-12)17(23)21-6-1-2-7-21/h3-5,9,12,15,19H,1-2,6-8,10-11H2,(H,20,22)(H,24,25)/t12-,15-/m0/s1