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

Systemtic Name: 3-[[5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-2-yl]methoxy]-4-propan-2-yl-benzoic acid Openeye Name: 3-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]-4-isopropyl-benzoic acid CAS Name: 3-[[5-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-2-pyrrolidinyl]methoxy]-4-propan-2-ylbenzoic acid IUPAC Name: 3-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]-4-propan-2-ylbenzoic acid Traditional Name: 3-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]-4-isopropyl-benzoic acid Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c1-13(2)17-7-5-14(21(26)27)10-19(17)28-12-15-6-8-18(23-15)20(25)24-9-3-4-16(24)11-22/h5,7,10,13,15-16,18,23H,3-4,6,8-9,12H2,1-2H3,(H,26,27)