methyl 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]amino]-5-morpholin-4-yl-benzoate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]amino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]amino]-5-morpholino-benzoate CAS Name: 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-1-oxoprop-2-enyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoyl]amino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acryloyl]amino]-5-morpholino-benzoic acid methyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=C(C=C(C=C2)N3CCOCC3)C(=O)OC)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)N3CCOCC3)C(=O)OC)C

InChI

InChI=1S/C25H30N4O4/c1-5-8-29-17(2)13-19(18(29)3)14-20(16-26)24(30)27-23-7-6-21(15-22(23)25(31)32-4)28-9-11-33-12-10-28/h6-7,13-15H,5,8-12H2,1-4H3,(H,27,30)/b20-14+