2-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-(4-isopentyloxy-3-methoxy-phenyl)vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-(4-isoamoxy-3-methoxy-phenyl)vinyl]cinchoninic acid Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)O)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)O)OC

InChI

InChI=1S/C24H25NO4/c1-16(2)12-13-29-22-11-9-17(14-23(22)28-3)8-10-18-15-20(24(26)27)19-6-4-5-7-21(19)25-18/h4-11,14-16H,12-13H2,1-3H3,(H,26,27)/b10-8+