(3R,4S)-2-(1,3-benzodioxol-5-ylmethyl)-1-oxidanylidene-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3R,4S)-2-(1,3-benzodioxol-5-ylmethyl)-1-oxidanylidene-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3R,4S)-2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-3-(3-pyridyl)-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3R,4S)-2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-3-(3-pyridinyl)-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3R,4S)-2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3R,4S)-1-keto-2-piperonyl-3-(3-pyridyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C23H18N2O5 MolecularWeight: 402.39942

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(C(C4=CC=CC=C4C3=O)C(=O)O)C5=CN=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3[C@H]([C@H](C4=CC=CC=C4C3=O)C(=O)O)C5=CN=CC=C5

InChI

InChI=1S/C23H18N2O5/c26-22-17-6-2-1-5-16(17)20(23(27)28)21(15-4-3-9-24-11-15)25(22)12-14-7-8-18-19(10-14)30-13-29-18/h1-11,20-21H,12-13H2,(H,27,28)/t20-,21-/m0/s1