methyl (3R,4R)-3-(1-methylpyrrol-2-yl)-1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: methyl (3R,4R)-3-(1-methylpyrrol-2-yl)-1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: methyl (3R,4R)-2-benzyl-3-(1-methylpyrrol-2-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3R,4R)-3-(1-methyl-2-pyrrolyl)-1-oxo-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl (3R,4R)-2-benzyl-3-(1-methylpyrrol-2-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3R,4R)-2-benzyl-1-keto-3-(1-methylpyrrol-2-yl)-3,4-dihydroisoquinoline-4-carboxylic acid methyl ester Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2C(C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CN1C=CC=C1[C@H]2[C@@H](C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C23H22N2O3/c1-24-14-8-13-19(24)21-20(23(27)28-2)17-11-6-7-12-18(17)22(26)25(21)15-16-9-4-3-5-10-16/h3-14,20-21H,15H2,1-2H3/t20-,21+/m1/s1