methyl 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-morpholino-benzoate CAS Name: 3-[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[[(E)-3-(4-chlorophenyl)acryloyl]amino]-4-morpholino-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)N2CCOCC2)NC(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)/C=C/C3=CC=C(C=C3)Cl

InChI

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