(Z)-4-(4-tert-butylphenyl)-2-oxidanylidene-3-quinolin-2-yl-but-3-enoate

Systemtic Name: (Z)-4-(4-tert-butylphenyl)-2-oxidanylidene-3-quinolin-2-yl-but-3-enoate Openeye Name: (Z)-4-(4-tert-butylphenyl)-2-oxo-3-(2-quinolyl)but-3-enoate CAS Name: (Z)-4-(4-tert-butylphenyl)-2-oxo-3-(2-quinolinyl)-3-butenoate IUPAC Name: (Z)-4-(4-tert-butylphenyl)-2-oxo-3-quinolin-2-ylbut-3-enoate Traditional Name: (Z)-4-(4-tert-butylphenyl)-2-keto-3-(2-quinolyl)but-3-enoate Formula: C23H20NO3- MolecularWeight: 358.4098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3C=C2)C(=O)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C(/C2=NC3=CC=CC=C3C=C2)\C(=O)C(=O)[O-]

InChI

InChI=1S/C23H21NO3/c1-23(2,3)17-11-8-15(9-12-17)14-18(21(25)22(26)27)20-13-10-16-6-4-5-7-19(16)24-20/h4-14H,1-3H3,(H,26,27)/p-1/b18-14-