2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]pyridazin-3-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]pyridazin-3-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-naphthyl]pyridazin-3-one CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-[6-[2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl]-2-naphthalenyl]-3-pyridazinone IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]pyridazin-3-one Traditional Name: citric acid; 2-[6-[2-[(2R)-2-methylpyrrolidino]ethyl]-2-naphthyl]pyridazin-3-one Formula: C27H31N3O8 MolecularWeight: 525.55034

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1CCC2=CC3=C(C=C2)C=C(C=C3)N4C(=O)C=CC=N4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C[C@@H]1CCCN1CCC2=CC3=C(C=C2)C=C(C=C3)N4C(=O)C=CC=N4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C21H23N3O.C6H8O7/c1-16-4-3-12-23(16)13-10-17-6-7-19-15-20(9-8-18(19)14-17)24-21(25)5-2-11-22-24;7-3(8)1-6(13,5(11)12)2-4(9)10/h2,5-9,11,14-16H,3-4,10,12-13H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t16-;/m1./s1