(3R,4R)-3-(1-methylpyrrol-2-yl)-1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3R,4R)-3-(1-methylpyrrol-2-yl)-1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3R,4R)-2-benzyl-3-(1-methylpyrrol-2-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3R,4R)-3-(1-methyl-2-pyrrolyl)-1-oxo-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3R,4R)-2-benzyl-3-(1-methylpyrrol-2-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3R,4R)-2-benzyl-1-keto-3-(1-methylpyrrol-2-yl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3/c1-23-13-7-12-18(23)20-19(22(26)27)16-10-5-6-11-17(16)21(25)24(20)14-15-8-3-2-4-9-15/h2-13,19-20H,14H2,1H3,(H,26,27)/t19-,20+/m1/s1