ethyl 4-oxidanyl-3-[(E)-3-(4-quinolin-2-ylphenyl)prop-2-enoyl]benzoate

Systemtic Name: ethyl 4-oxidanyl-3-[(E)-3-(4-quinolin-2-ylphenyl)prop-2-enoyl]benzoate Openeye Name: ethyl 4-hydroxy-3-[(E)-3-[4-(2-quinolyl)phenyl]prop-2-enoyl]benzoate CAS Name: 4-hydroxy-3-[(E)-1-oxo-3-[4-(2-quinolinyl)phenyl]prop-2-enyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-3-[(E)-3-(4-quinolin-2-ylphenyl)prop-2-enoyl]benzoate Traditional Name: 4-hydroxy-3-[(E)-3-[4-(2-quinolyl)phenyl]acryloyl]benzoic acid ethyl ester Formula: C27H21NO4 MolecularWeight: 423.45994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)O)C(=O)C=CC2=CC=C(C=C2)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)O)C(=O)/C=C/C2=CC=C(C=C2)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H21NO4/c1-2-32-27(31)21-13-16-26(30)22(17-21)25(29)15-9-18-7-10-20(11-8-18)24-14-12-19-5-3-4-6-23(19)28-24/h3-17,30H,2H2,1H3/b15-9+