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

Systemtic Name: (3R,4R)-2-cyclohexyl-1-oxidanylidene-3-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3R,4R)-2-cyclohexyl-1-oxo-3-propyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3R,4R)-2-cyclohexyl-1-oxo-3-propyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3R,4R)-2-cyclohexyl-1-oxo-3-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3R,4R)-2-cyclohexyl-1-keto-3-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C19H25NO3 MolecularWeight: 315.4067

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C2=CC=CC=C2C(=O)N1C3CCCCC3)C(=O)O

Isomeric SMILES

CCC[C@@H]1[C@@H](C2=CC=CC=C2C(=O)N1C3CCCCC3)C(=O)O

InChI

InChI=1S/C19H25NO3/c1-2-8-16-17(19(22)23)14-11-6-7-12-15(14)18(21)20(16)13-9-4-3-5-10-13/h6-7,11-13,16-17H,2-5,8-10H2,1H3,(H,22,23)/t16-,17-/m1/s1