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

Systemtic Name: (3S,4S)-3-(furan-2-yl)-2-hexyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4S)-3-(2-furyl)-2-hexyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4S)-3-(2-furanyl)-2-hexyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4S)-3-(furan-2-yl)-2-hexyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4S)-3-(2-furyl)-2-hexyl-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC=CO3

Isomeric SMILES

CCCCCCN1[C@@H]([C@H](C2=CC=CC=C2C1=O)C(=O)O)C3=CC=CO3

InChI

InChI=1S/C20H23NO4/c1-2-3-4-7-12-21-18(16-11-8-13-25-16)17(20(23)24)14-9-5-6-10-15(14)19(21)22/h5-6,8-11,13,17-18H,2-4,7,12H2,1H3,(H,23,24)/t17-,18+/m0/s1