[2,2,4-trimethyl-1-[(E)-3-phenylprop-2-enoyl]quinolin-6-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [2,2,4-trimethyl-1-[(E)-3-phenylprop-2-enoyl]quinolin-6-yl] (E)-3-phenylprop-2-enoate Openeye Name: [2,2,4-trimethyl-1-[(E)-3-phenylprop-2-enoyl]-6-quinolyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [2,2,4-trimethyl-1-[(E)-1-oxo-3-phenylprop-2-enyl]-6-quinolinyl] ester IUPAC Name: [2,2,4-trimethyl-1-[(E)-3-phenylprop-2-enoyl]quinolin-6-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [2,2,4-trimethyl-1-[(E)-3-phenylacryloyl]-6-quinolyl] ester Formula: C30H27NO3 MolecularWeight: 449.54028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=C1C=C(C=C2)OC(=O)C=CC3=CC=CC=C3)C(=O)C=CC4=CC=CC=C4)(C)C

Isomeric SMILES

CC1=CC(N(C2=C1C=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3)C(=O)/C=C/C4=CC=CC=C4)(C)C

InChI

InChI=1S/C30H27NO3/c1-22-21-30(2,3)31(28(32)18-14-23-10-6-4-7-11-23)27-17-16-25(20-26(22)27)34-29(33)19-15-24-12-8-5-9-13-24/h4-21H,1-3H3/b18-14+,19-15+