4-[(E)-2-(8-oxidanyl-7-prop-2-enyl-quinolin-2-yl)ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-(8-oxidanyl-7-prop-2-enyl-quinolin-2-yl)ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(7-allyl-8-hydroxy-2-quinolyl)vinyl]benzoic acid CAS Name: 4-[(E)-2-(8-hydroxy-7-prop-2-enyl-2-quinolinyl)ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(8-hydroxy-7-prop-2-enylquinolin-2-yl)ethenyl]benzoic acid Traditional Name: 4-[(E)-2-(7-allyl-8-hydroxy-2-quinolyl)vinyl]benzoic acid Formula: C21H17NO3 MolecularWeight: 331.36458

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C2=C(C=C1)C=CC(=N2)C=CC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

C=CCC1=C(C2=C(C=C1)C=CC(=N2)/C=C/C3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C21H17NO3/c1-2-3-16-10-9-15-11-13-18(22-19(15)20(16)23)12-6-14-4-7-17(8-5-14)21(24)25/h2,4-13,23H,1,3H2,(H,24,25)/b12-6+