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

Systemtic Name: (3R,4S)-3-(furan-3-yl)-2-(2-methylpropyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3R,4S)-3-(3-furyl)-2-isobutyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3R,4S)-3-(3-furanyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3R,4S)-3-(furan-3-yl)-2-(2-methylpropyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3R,4S)-3-(3-furyl)-2-isobutyl-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=COC=C3

Isomeric SMILES

CC(C)CN1[C@H]([C@H](C2=CC=CC=C2C1=O)C(=O)O)C3=COC=C3

InChI

InChI=1S/C18H19NO4/c1-11(2)9-19-16(12-7-8-23-10-12)15(18(21)22)13-5-3-4-6-14(13)17(19)20/h3-8,10-11,15-16H,9H2,1-2H3,(H,21,22)/t15-,16-/m0/s1