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

Systemtic Name: 2-[(2E,4E)-hexa-2,4-dienoyl]-3-methyl-7-oxidanyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: 2-[(2E,4E)-hexa-2,4-dienoyl]-7-hydroxy-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate CAS Name: 7-hydroxy-3-methyl-2-[(2E,4E)-1-oxohexa-2,4-dienyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate IUPAC Name: 2-[(2E,4E)-hexa-2,4-dienoyl]-7-hydroxy-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Traditional Name: 2-[(2E,4E)-hexa-2,4-dienoyl]-7-hydroxy-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Formula: C17H18NO4- MolecularWeight: 300.32912

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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)/p-1/b4-3+,6-5+