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

Systemtic Name: 2-[(E)-hept-2-enoyl]-3-methyl-7-oxidanyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 2-[(E)-hept-2-enoyl]-7-hydroxy-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 7-hydroxy-3-methyl-2-[(E)-1-oxohept-2-enyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 2-[(E)-hept-2-enoyl]-7-hydroxy-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-[(E)-hept-2-enoyl]-7-hydroxy-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO4/c1-3-4-5-6-7-16(21)19-12(2)10-13-8-9-14(20)11-15(13)17(19)18(22)23/h6-9,11-12,17,20H,3-5,10H2,1-2H3,(H,22,23)/b7-6+