(2Z)-2-[(3S)-1-oxidanylidene-3-propan-2-yl-2,3-dihydroisoquinolin-4-ylidene]ethanoic acid

Systemtic Name: (2Z)-2-[(3S)-1-oxidanylidene-3-propan-2-yl-2,3-dihydroisoquinolin-4-ylidene]ethanoic acid Openeye Name: (2Z)-2-[(3S)-3-isopropyl-1-oxo-2,3-dihydroisoquinolin-4-ylidene]acetic acid CAS Name: (2Z)-2-[(3S)-1-oxo-3-propan-2-yl-2,3-dihydroisoquinolin-4-ylidene]acetic acid IUPAC Name: (2Z)-2-[(3S)-1-oxo-3-propan-2-yl-2,3-dihydroisoquinolin-4-ylidene]acetic acid Traditional Name: (2Z)-2-[(3S)-3-isopropyl-1-keto-2,3-dihydroisoquinolin-4-ylidene]acetic acid Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=CC(=O)O)C2=CC=CC=C2C(=O)N1

Isomeric SMILES

CC(C)[C@H]1/C(=C\C(=O)O)/C2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C14H15NO3/c1-8(2)13-11(7-12(16)17)9-5-3-4-6-10(9)14(18)15-13/h3-8,13H,1-2H3,(H,15,18)(H,16,17)/b11-7-/t13-/m0/s1