3-[(3R)-6-tert-butyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanoic acid

Systemtic Name: 3-[(3R)-6-tert-butyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanoic acid Openeye Name: 3-[(3R)-6-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoic acid CAS Name: 3-[(3R)-6-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoic acid IUPAC Name: 3-[(3R)-6-tert-butyl-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoic acid Traditional Name: 3-[(3R)-6-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=CC2=C(C=C1)NC(=O)C(C2)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3/c1-16(2,3)12-5-6-13-11(9-12)8-10(15(20)17-13)4-7-14(18)19/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,20)(H,18,19)/t10-/m1/s1