methyl 4-[(E)-3-[2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[2-(N-(3-amino-3-oxo-propyl)anilino)-2-oxo-ethoxy]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[2-(N-(3-amino-3-keto-propyl)anilino)-2-keto-ethoxy]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)OCC(=O)N(CCC(=O)N)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)N(CCC(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C22H22N2O6/c1-29-22(28)17-10-7-16(8-11-17)9-12-21(27)30-15-20(26)24(14-13-19(23)25)18-5-3-2-4-6-18/h2-12H,13-15H2,1H3,(H2,23,25)/b12-9+