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

Systemtic Name: 6-[[5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-2-yl]methoxy]naphthalene-1-carboxylic acid Openeye Name: 6-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]naphthalene-1-carboxylic acid CAS Name: 6-[[5-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-2-pyrrolidinyl]methoxy]-1-naphthalenecarboxylic acid IUPAC Name: 6-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]naphthalene-1-carboxylic acid Traditional Name: 6-[[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=CC4=C(C=C3)C(=CC=C4)C(=O)O)C#N

Isomeric SMILES

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

InChI

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