methyl 4-[(E)-3-[(5-chloranyl-2-morpholin-4-yl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[(5-chloranyl-2-morpholin-4-yl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(5-chloro-2-morpholino-anilino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[5-chloro-2-(4-morpholinyl)anilino]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(5-chloro-2-morpholin-4-ylanilino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(5-chloro-2-morpholino-anilino)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3

InChI

InChI=1S/C21H21ClN2O4/c1-27-21(26)16-5-2-15(3-6-16)4-9-20(25)23-18-14-17(22)7-8-19(18)24-10-12-28-13-11-24/h2-9,14H,10-13H2,1H3,(H,23,25)/b9-4+