2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid hydrate

Systemtic Name: 2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid hydrate Openeye Name: 2-[(E)-styryl]quinoline-4-carboxylic acid hydrate CAS Name: 2-[(E)-2-phenylethenyl]-4-quinolinecarboxylic acid hydrate IUPAC Name: 2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid hydrate Traditional Name: 2-[(E)-styryl]cinchoninic acid hydrate Formula: C18H15NO3 MolecularWeight: 293.3166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)O.O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)O.O

InChI

InChI=1S/C18H13NO2.H2O/c20-18(21)16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17;/h1-12H,(H,20,21);1H2/b11-10+;