3-[(3S)-8-tert-butyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanoic acid

Systemtic Name: 3-[(3S)-8-tert-butyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanoic acid Openeye Name: 3-[(3S)-8-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoic acid CAS Name: 3-[(3S)-8-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoic acid IUPAC Name: 3-[(3S)-8-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoic acid Traditional Name: 3-[(3S)-8-tert-butyl-2-keto-3,4-dihydro-1H-quinolin-3-yl]propionic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC2=C1NC(=O)C(C2)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=CC2=C1NC(=O)[C@H](C2)CCC(=O)O

InChI

InChI=1S/C16H21NO3/c1-16(2,3)12-6-4-5-10-9-11(7-8-13(18)19)15(20)17-14(10)12/h4-6,11H,7-9H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1