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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C2=CC=CC=C2C(=O)N1CC)C(=O)O

Isomeric SMILES

CCC[C@@H]1[C@H](C2=CC=CC=C2C(=O)N1CC)C(=O)O

InChI

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