methyl 4-[3-oxidanylidene-3-(phenethylamino)-2-(phenethylcarbamoyl)prop-1-enyl]benzoate

Systemtic Name: methyl 4-[3-oxidanylidene-3-(phenethylamino)-2-(phenethylcarbamoyl)prop-1-enyl]benzoate Openeye Name: methyl 4-[3-oxo-3-(phenethylamino)-2-(phenethylcarbamoyl)prop-1-enyl]benzoate CAS Name: 4-[3-oxo-2-[oxo-(phenethylamino)methyl]-3-(phenethylamino)prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-oxo-3-(phenethylamino)-2-(phenethylcarbamoyl)prop-1-enyl]benzoate Traditional Name: 4-[3-keto-3-(phenethylamino)-2-(phenethylcarbamoyl)prop-1-enyl]benzoic acid methyl ester Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C(C(=O)NCCC2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=C(C(=O)NCCC2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C28H28N2O4/c1-34-28(33)24-14-12-23(13-15-24)20-25(26(31)29-18-16-21-8-4-2-5-9-21)27(32)30-19-17-22-10-6-3-7-11-22/h2-15,20H,16-19H2,1H3,(H,29,31)(H,30,32)