(E)-3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)prop-2-enoic acid Openeye Name: (E)-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolyl)prop-2-enoic acid CAS Name: (E)-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinyl)-2-propenoic acid IUPAC Name: (E)-3-(2,6,7-trimethyl-1-oxo-4-phenylisoquinolin-3-yl)prop-2-enoic acid Traditional Name: (E)-3-(1-keto-2,6,7-trimethyl-4-phenyl-3-isoquinolyl)acrylic acid Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)C=CC(=O)O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)/C=C/C(=O)O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H19NO3/c1-13-11-16-17(12-14(13)2)21(25)22(3)18(9-10-19(23)24)20(16)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,23,24)/b10-9+