5-azanyl-1-methyl-3-octoxy-2-oxidanyl-6-[(E)-3-phenylprop-2-enoyl]quinolin-4-one

Systemtic Name: 5-azanyl-1-methyl-3-octoxy-2-oxidanyl-6-[(E)-3-phenylprop-2-enoyl]quinolin-4-one Openeye Name: 5-amino-2-hydroxy-1-methyl-3-octoxy-6-[(E)-3-phenylprop-2-enoyl]quinolin-4-one CAS Name: 5-amino-2-hydroxy-1-methyl-3-octoxy-6-[(E)-1-oxo-3-phenylprop-2-enyl]-4-quinolinone IUPAC Name: 5-amino-2-hydroxy-1-methyl-3-octoxy-6-[(E)-3-phenylprop-2-enoyl]quinolin-4-one Traditional Name: 5-amino-2-hydroxy-1-methyl-3-octoxy-6-[(E)-3-phenylacryloyl]-4-quinolone Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(N(C2=C(C1=O)C(=C(C=C2)C(=O)C=CC3=CC=CC=C3)N)C)O

Isomeric SMILES

CCCCCCCCOC1=C(N(C2=C(C1=O)C(=C(C=C2)C(=O)/C=C/C3=CC=CC=C3)N)C)O

InChI

InChI=1S/C27H32N2O4/c1-3-4-5-6-7-11-18-33-26-25(31)23-21(29(2)27(26)32)16-15-20(24(23)28)22(30)17-14-19-12-9-8-10-13-19/h8-10,12-17,32H,3-7,11,18,28H2,1-2H3/b17-14+