dodeca-4,6,8-triynedioic acid; 3-(pyridin-3-ylmethylamino)cyclohex-2-en-1-one

Systemtic Name: dodeca-4,6,8-triynedioic acid; 3-(pyridin-3-ylmethylamino)cyclohex-2-en-1-one Openeye Name: dodeca-4,6,8-triynedioic acid; 3-(3-pyridylmethylamino)cyclohex-2-en-1-one CAS Name: dodeca-4,6,8-triynedioic acid; 3-(3-pyridinylmethylamino)-1-cyclohex-2-enone IUPAC Name: dodeca-4,6,8-triynedioic acid; 3-(pyridin-3-ylmethylamino)cyclohex-2-en-1-one Traditional Name: dodeca-4,6,8-triynedioic acid; 3-(3-pyridylmethylamino)cyclohex-2-en-1-one Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=O)C1)NCC2=CN=CC=C2.C(CC(=O)O)C#CC#CC#CCCC(=O)O

Isomeric SMILES

C1CC(=CC(=O)C1)NCC2=CN=CC=C2.C(CC(=O)O)C#CC#CC#CCCC(=O)O

InChI

InChI=1S/C12H14N2O.C12H10O4/c15-12-5-1-4-11(7-12)14-9-10-3-2-6-13-8-10;13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h2-3,6-8,14H,1,4-5,9H2;7-10H2,(H,13,14)(H,15,16)