(3S,4R)-3-(4-ethoxy-2-oxidanyl-phenyl)-1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4R)-3-(4-ethoxy-2-oxidanyl-phenyl)-1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-2-benzyl-3-(4-ethoxy-2-hydroxy-phenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-3-(4-ethoxy-2-hydroxyphenyl)-1-oxo-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-2-benzyl-3-(4-ethoxy-2-hydroxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-2-benzyl-3-(4-ethoxy-2-hydroxy-phenyl)-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C25H23NO5 MolecularWeight: 417.45382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C(=O)O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1)[C@@H]2[C@@H](C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C(=O)O)O

InChI

InChI=1S/C25H23NO5/c1-2-31-17-12-13-20(21(27)14-17)23-22(25(29)30)18-10-6-7-11-19(18)24(28)26(23)15-16-8-4-3-5-9-16/h3-14,22-23,27H,2,15H2,1H3,(H,29,30)/t22-,23-/m1/s1