3-[4-(3-cyanopropoxy)-3-methoxy-phenyl]benzo[f]quinoline-1-carboxylic acid

Systemtic Name: 3-[4-(3-cyanopropoxy)-3-methoxy-phenyl]benzo[f]quinoline-1-carboxylic acid Openeye Name: 3-[4-(3-cyanopropoxy)-3-methoxy-phenyl]benzo[f]quinoline-1-carboxylic acid CAS Name: 3-[4-(3-cyanopropoxy)-3-methoxyphenyl]-1-benzo[f]quinolinecarboxylic acid IUPAC Name: 3-[4-(3-cyanopropoxy)-3-methoxyphenyl]benzo[f]quinoline-1-carboxylic acid Traditional Name: 3-[4-(3-cyanopropoxy)-3-methoxy-phenyl]benzo[f]quinoline-1-carboxylic acid Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NC3=C(C4=CC=CC=C4C=C3)C(=C2)C(=O)O)OCCCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NC3=C(C4=CC=CC=C4C=C3)C(=C2)C(=O)O)OCCCC#N

InChI

InChI=1S/C25H20N2O4/c1-30-23-14-17(9-11-22(23)31-13-5-4-12-26)21-15-19(25(28)29)24-18-7-3-2-6-16(18)8-10-20(24)27-21/h2-3,6-11,14-15H,4-5,13H2,1H3,(H,28,29)