3-[[1-methyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]carbonyl]hex-5-enoic acid

Systemtic Name: 3-[[1-methyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]carbonyl]hex-5-enoic acid Openeye Name: 3-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)hex-5-enoic acid CAS Name: 3-[(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-5-hexenoic acid IUPAC Name: 3-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)hex-5-enoic acid Traditional Name: 3-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)hex-5-enoic acid Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1C(=O)C(CC=C)CC(=O)O)O)O

Isomeric SMILES

CC1C2=CC(=C(C=C2CCN1C(=O)C(CC=C)CC(=O)O)O)O

InChI

InChI=1S/C17H21NO5/c1-3-4-12(8-16(21)22)17(23)18-6-5-11-7-14(19)15(20)9-13(11)10(18)2/h3,7,9-10,12,19-20H,1,4-6,8H2,2H3,(H,21,22)