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

Systemtic Name: 5-chloranyl-6-[[5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-2-yl]methoxy]naphthalene-2-carboxylic acid Openeye Name: 5-chloro-6-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]naphthalene-2-carboxylic acid CAS Name: 5-chloro-6-[[5-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-2-pyrrolidinyl]methoxy]-2-naphthalenecarboxylic acid IUPAC Name: 5-chloro-6-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]naphthalene-2-carboxylic acid Traditional Name: 5-chloro-6-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]-2-naphthoic acid Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O4/c23-20-17-6-3-14(22(28)29)10-13(17)4-8-19(20)30-12-15-5-7-18(25-15)21(27)26-9-1-2-16(26)11-24/h3-4,6,8,10,15-16,18,25H,1-2,5,7,9,12H2,(H,28,29)