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

Systemtic Name: 3-[[5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-2-yl]methoxy]-4-propan-2-yloxy-benzoic acid Openeye Name: 3-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]-4-isopropoxy-benzoic acid CAS Name: 3-[[5-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-2-pyrrolidinyl]methoxy]-4-propan-2-yloxybenzoic acid IUPAC Name: 3-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]-4-propan-2-yloxybenzoic acid Traditional Name: 3-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]-4-isopropoxy-benzoic acid Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)O)OCC2CCC(N2)C(=O)N3CCCC3C#N

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)O)OCC2CCC(N2)C(=O)N3CCCC3C#N

InChI

InChI=1S/C21H27N3O5/c1-13(2)29-18-8-5-14(21(26)27)10-19(18)28-12-15-6-7-17(23-15)20(25)24-9-3-4-16(24)11-22/h5,8,10,13,15-17,23H,3-4,6-7,9,12H2,1-2H3,(H,26,27)