(2,3,6-trimethylphenyl) 3-[(3S)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanoate

Systemtic Name: (2,3,6-trimethylphenyl) 3-[(3S)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanoate Openeye Name: (2,3,6-trimethylphenyl) 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate CAS Name: 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate Traditional Name: 3-[(3S)-2-keto-3,4-dihydro-1H-quinolin-3-yl]propionic acid (2,3,6-trimethylphenyl) ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)CCC2CC3=CC=CC=C3NC2=O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)CC[C@H]2CC3=CC=CC=C3NC2=O)C

InChI

InChI=1S/C21H23NO3/c1-13-8-9-14(2)20(15(13)3)25-19(23)11-10-17-12-16-6-4-5-7-18(16)22-21(17)24/h4-9,17H,10-12H2,1-3H3,(H,22,24)/t17-/m0/s1