O4-methyl O2-phenyl (1S)-1-[(E)-3-phenylprop-2-enyl]-1H-isoquinoline-2,4-dicarboxylate

Systemtic Name: O4-methyl O2-phenyl (1S)-1-[(E)-3-phenylprop-2-enyl]-1H-isoquinoline-2,4-dicarboxylate Openeye Name: O4-methyl O2-phenyl (1S)-1-[(E)-cinnamyl]-1H-isoquinoline-2,4-dicarboxylate CAS Name: (1S)-1-[(E)-3-phenylprop-2-enyl]-1H-isoquinoline-2,4-dicarboxylic acid O4-methyl ester O2-phenyl ester IUPAC Name: 4-O-methyl 2-O-phenyl (1S)-1-[(E)-3-phenylprop-2-enyl]-1H-isoquinoline-2,4-dicarboxylate Traditional Name: (1S)-1-[(E)-cinnamyl]-1H-isoquinoline-2,4-dicarboxylic acid O4-methyl ester O2-phenyl ester Formula: C27H23NO4 MolecularWeight: 425.47582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(C2=CC=CC=C21)CC=CC3=CC=CC=C3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CN([C@H](C2=CC=CC=C21)C/C=C/C3=CC=CC=C3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C27H23NO4/c1-31-26(29)24-19-28(27(30)32-21-14-6-3-7-15-21)25(23-17-9-8-16-22(23)24)18-10-13-20-11-4-2-5-12-20/h2-17,19,25H,18H2,1H3/b13-10+/t25-/m0/s1