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

Systemtic Name: (3S,4S)-2-hexyl-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4S)-2-hexyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4S)-2-hexyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4S)-2-hexyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4S)-2-hexyl-1-keto-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3/c1-2-3-4-10-15-23-20(16-11-6-5-7-12-16)19(22(25)26)17-13-8-9-14-18(17)21(23)24/h5-9,11-14,19-20H,2-4,10,15H2,1H3,(H,25,26)/t19-,20+/m0/s1