6-[[5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-2-yl]methoxy]naphthalene-2-carboxylic acid

Systemtic Name: 6-[[5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-2-yl]methoxy]naphthalene-2-carboxylic acid Openeye Name: 6-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]naphthalene-2-carboxylic acid CAS Name: 6-[[5-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-2-pyrrolidinyl]methoxy]-2-naphthalenecarboxylic acid IUPAC Name: 6-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]naphthalene-2-carboxylic acid Traditional Name: 6-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]-2-naphthoic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCC(N2)COC3=CC4=C(C=C3)C=C(C=C4)C(=O)O)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCC(N2)COC3=CC4=C(C=C3)C=C(C=C4)C(=O)O)C#N

InChI

InChI=1S/C22H23N3O4/c23-12-18-2-1-9-25(18)21(26)20-8-6-17(24-20)13-29-19-7-5-14-10-16(22(27)28)4-3-15(14)11-19/h3-5,7,10-11,17-18,20,24H,1-2,6,8-9,13H2,(H,27,28)