(3S,4S)-3-(furan-2-yl)-1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4S)-3-(furan-2-yl)-1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4S)-2-benzyl-3-(2-furyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4S)-3-(2-furanyl)-1-oxo-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4S)-2-benzyl-3-(furan-2-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4S)-2-benzyl-3-(2-furyl)-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C21H17NO4 MolecularWeight: 347.36398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)CN2[C@@H]([C@H](C3=CC=CC=C3C2=O)C(=O)O)C4=CC=CO4

InChI

InChI=1S/C21H17NO4/c23-20-16-10-5-4-9-15(16)18(21(24)25)19(17-11-6-12-26-17)22(20)13-14-7-2-1-3-8-14/h1-12,18-19H,13H2,(H,24,25)/t18-,19+/m0/s1