pentyl 4-[[(E)-2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]amino]benzoate

Systemtic Name: pentyl 4-[[(E)-2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]amino]benzoate Openeye Name: pentyl 4-[[(E)-2-cyano-3-morpholino-3-oxo-prop-1-enyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(4-morpholinyl)-3-oxoprop-1-enyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-keto-3-morpholino-prop-1-enyl]amino]benzoic acid amyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C(=O)N2CCOCC2

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)N/C=C(\C#N)/C(=O)N2CCOCC2

InChI

InChI=1S/C20H25N3O4/c1-2-3-4-11-27-20(25)16-5-7-18(8-6-16)22-15-17(14-21)19(24)23-9-12-26-13-10-23/h5-8,15,22H,2-4,9-13H2,1H3/b17-15+