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

Systemtic Name: 3-[[5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-2-yl]methoxy]-4-methoxy-benzoic acid Openeye Name: 3-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]-4-methoxy-benzoic acid CAS Name: 3-[[5-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-2-pyrrolidinyl]methoxy]-4-methoxybenzoic acid IUPAC Name: 3-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]-4-methoxybenzoic acid Traditional Name: 3-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]-4-methoxy-benzoic acid Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)OCC2CCC(N2)C(=O)N3CCCC3C#N

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)OCC2CCC(N2)C(=O)N3CCCC3C#N

InChI

InChI=1S/C19H23N3O5/c1-26-16-7-4-12(19(24)25)9-17(16)27-11-13-5-6-15(21-13)18(23)22-8-2-3-14(22)10-20/h4,7,9,13-15,21H,2-3,5-6,8,11H2,1H3,(H,24,25)