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

Systemtic Name: 5-[[5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-2-yl]methoxy]naphthalene-1-carboxylic acid Openeye Name: 5-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]naphthalene-1-carboxylic acid CAS Name: 5-[[5-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-2-pyrrolidinyl]methoxy]-1-naphthalenecarboxylic acid IUPAC Name: 5-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]naphthalene-1-carboxylic acid Traditional Name: 5-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]-1-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=CC=CC4=C3C=CC=C4C(=O)O)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCC(N2)COC3=CC=CC4=C3C=CC=C4C(=O)O)C#N

InChI

InChI=1S/C22H23N3O4/c23-12-15-4-3-11-25(15)21(26)19-10-9-14(24-19)13-29-20-8-2-5-16-17(20)6-1-7-18(16)22(27)28/h1-2,5-8,14-15,19,24H,3-4,9-11,13H2,(H,27,28)