[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-[4-(caproylamino)phenyl]-2-keto-ethyl] ester Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C=CC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C26H26N2O4/c1-2-3-4-9-25(30)28-22-14-11-20(12-15-22)24(29)18-32-26(31)17-16-21-13-10-19-7-5-6-8-23(19)27-21/h5-8,10-17H,2-4,9,18H2,1H3,(H,28,30)/b17-16+