2-[(2E,4E)-hexa-2,4-dienoyl]-3-methyl-7-oxidanyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 2-[(2E,4E)-hexa-2,4-dienoyl]-3-methyl-7-oxidanyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 2-[(2E,4E)-hexa-2,4-dienoyl]-7-hydroxy-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 7-hydroxy-3-methyl-2-[(2E,4E)-1-oxohexa-2,4-dienyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 2-[(2E,4E)-hexa-2,4-dienoyl]-7-hydroxy-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-[(2E,4E)-hexa-2,4-dienoyl]-7-hydroxy-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C17H19NO4 MolecularWeight: 301.33706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)N1C(CC2=C(C1C(=O)O)C=C(C=C2)O)C

Isomeric SMILES

C/C=C/C=C/C(=O)N1C(CC2=C(C1C(=O)O)C=C(C=C2)O)C

InChI

InChI=1S/C17H19NO4/c1-3-4-5-6-15(20)18-11(2)9-12-7-8-13(19)10-14(12)16(18)17(21)22/h3-8,10-11,16,19H,9H2,1-2H3,(H,21,22)/b4-3+,6-5+