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

Systemtic Name: (3S,4S)-2-ethyl-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4S)-2-ethyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4S)-2-ethyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4S)-2-ethyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4S)-2-ethyl-1-keto-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCN1[C@@H]([C@H](C2=CC=CC=C2C1=O)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H17NO3/c1-2-19-16(12-8-4-3-5-9-12)15(18(21)22)13-10-6-7-11-14(13)17(19)20/h3-11,15-16H,2H2,1H3,(H,21,22)/t15-,16+/m0/s1