3-[[5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-5-yl)benzoic acid

Systemtic Name: 3-[[5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-5-yl)benzoic acid Openeye Name: 3-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-5-yl)benzoic acid CAS Name: 3-[[5-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-2-pyrrolidinyl]methoxy]-4-(1H-pyrazol-5-yl)benzoic acid IUPAC Name: 3-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-5-yl)benzoic acid Traditional Name: 3-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]-4-(1H-pyrazol-5-yl)benzoic acid Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCC(N2)COC3=C(C=CC(=C3)C(=O)O)C4=CC=NN4)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCC(N2)COC3=C(C=CC(=C3)C(=O)O)C4=CC=NN4)C#N

InChI

InChI=1S/C21H23N5O4/c22-11-15-2-1-9-26(15)20(27)18-6-4-14(24-18)12-30-19-10-13(21(28)29)3-5-16(19)17-7-8-23-25-17/h3,5,7-8,10,14-15,18,24H,1-2,4,6,9,12H2,(H,23,25)(H,28,29)