(3R,4S)-3-(4-methoxyphenyl)-1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: (3R,4S)-3-(4-methoxyphenyl)-1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: (3R,4S)-2-benzyl-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3R,4S)-3-(4-methoxyphenyl)-1-oxo-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylate IUPAC Name: (3R,4S)-2-benzyl-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3R,4S)-2-benzyl-1-keto-3-(4-methoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylate Formula: C24H20NO4- MolecularWeight: 386.4199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@H](C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C24H21NO4/c1-29-18-13-11-17(12-14-18)22-21(24(27)28)19-9-5-6-10-20(19)23(26)25(22)15-16-7-3-2-4-8-16/h2-14,21-22H,15H2,1H3,(H,27,28)/p-1/t21-,22-/m0/s1