methyl 4-[[2-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[2-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-[(E)-2-cyano-3-keto-3-(2-methyl-1H-indol-3-yl)prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C28H22N2O4 MolecularWeight: 450.48528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(=CC3=CC=CC=C3OCC4=CC=C(C=C4)C(=O)OC)C#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)/C(=C/C3=CC=CC=C3OCC4=CC=C(C=C4)C(=O)OC)/C#N

InChI

InChI=1S/C28H22N2O4/c1-18-26(23-8-4-5-9-24(23)30-18)27(31)22(16-29)15-21-7-3-6-10-25(21)34-17-19-11-13-20(14-12-19)28(32)33-2/h3-15,30H,17H2,1-2H3/b22-15+