(3R,4S)-3-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: (3R,4S)-3-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: (3R,4S)-3-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3R,4S)-3-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylate IUPAC Name: (3R,4S)-3-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3R,4S)-1-keto-3-(4-methoxyphenyl)-2-o-anisyl-3,4-dihydroisoquinoline-4-carboxylate Formula: C25H22NO5- MolecularWeight: 416.44588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4OC)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@H](C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4OC)C(=O)[O-]

InChI

InChI=1S/C25H23NO5/c1-30-18-13-11-16(12-14-18)23-22(25(28)29)19-8-4-5-9-20(19)24(27)26(23)15-17-7-3-6-10-21(17)31-2/h3-14,22-23H,15H2,1-2H3,(H,28,29)/p-1/t22-,23-/m0/s1