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

Systemtic Name: (3R,4S)-3-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: (3R,4S)-3-(4-methoxyphenyl)-1-oxo-2-(p-tolylmethyl)-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3R,4S)-3-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylate IUPAC Name: (3R,4S)-3-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3R,4S)-1-keto-3-(4-methoxyphenyl)-2-(4-methylbenzyl)-3,4-dihydroisoquinoline-4-carboxylate Formula: C25H22NO4- MolecularWeight: 400.44648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(C(C3=CC=CC=C3C2=O)C(=O)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2[C@H]([C@H](C3=CC=CC=C3C2=O)C(=O)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H23NO4/c1-16-7-9-17(10-8-16)15-26-23(18-11-13-19(30-2)14-12-18)22(25(28)29)20-5-3-4-6-21(20)24(26)27/h3-14,22-23H,15H2,1-2H3,(H,28,29)/p-1/t22-,23-/m0/s1