N-butyl-3-cyano-2-methoxy-N-piperidin-1-yl-naphthalene-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N-butyl-3-cyano-2-methoxy-N-piperidin-1-yl-naphthalene-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: N-butyl-3-cyano-2-methoxy-N-(1-piperidyl)naphthalene-1-carboxamide; citric acid CAS Name: N-butyl-3-cyano-2-methoxy-N-(1-piperidinyl)-1-naphthalenecarboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N-butyl-3-cyano-2-methoxy-N-piperidin-1-ylnaphthalene-1-carboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: N-butyl-3-cyano-2-methoxy-N-piperidino-1-naphthamide; citric acid Formula: C28H35N3O9 MolecularWeight: 557.5922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)C1=C(C(=CC2=CC=CC=C21)C#N)OC)N3CCCCC3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCN(C(=O)C1=C(C(=CC2=CC=CC=C21)C#N)OC)N3CCCCC3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C22H27N3O2.C6H8O7/c1-3-4-14-25(24-12-8-5-9-13-24)22(26)20-19-11-7-6-10-17(19)15-18(16-23)21(20)27-2;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)