(3S,4R)-2-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4R)-2-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-2-(2-furylmethyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-2-(2-furanylmethyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-2-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-2-(2-furfuryl)-1-keto-3-(4-methoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C22H19NO5 MolecularWeight: 377.38996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC4=CC=CO4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@@H](C3=CC=CC=C3C(=O)N2CC4=CC=CO4)C(=O)O

InChI

InChI=1S/C22H19NO5/c1-27-15-10-8-14(9-11-15)20-19(22(25)26)17-6-2-3-7-18(17)21(24)23(20)13-16-5-4-12-28-16/h2-12,19-20H,13H2,1H3,(H,25,26)/t19-,20-/m1/s1