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

Systemtic Name: (3R,4S)-3-ethyl-1-oxidanylidene-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3R,4S)-3-ethyl-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3R,4S)-3-ethyl-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3R,4S)-3-ethyl-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3R,4S)-3-ethyl-1-keto-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)O)CC

Isomeric SMILES

CCCN1[C@@H]([C@H](C2=CC=CC=C2C1=O)C(=O)O)CC

InChI

InChI=1S/C15H19NO3/c1-3-9-16-12(4-2)13(15(18)19)10-7-5-6-8-11(10)14(16)17/h5-8,12-13H,3-4,9H2,1-2H3,(H,18,19)/t12-,13+/m1/s1