ethyl 3-(3-cyanophenyl)-3-[[4-(2,5-dihydropyrrol-1-ylcarbonyl)-3-methyl-phenyl]carbonylamino]propanoate

Systemtic Name: ethyl 3-(3-cyanophenyl)-3-[[4-(2,5-dihydropyrrol-1-ylcarbonyl)-3-methyl-phenyl]carbonylamino]propanoate Openeye Name: ethyl 3-(3-cyanophenyl)-3-[[4-(2,5-dihydropyrrole-1-carbonyl)-3-methyl-benzoyl]amino]propanoate CAS Name: 3-(3-cyanophenyl)-3-[[[4-[2,5-dihydropyrrol-1-yl(oxo)methyl]-3-methylphenyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(3-cyanophenyl)-3-[[4-(2,5-dihydropyrrole-1-carbonyl)-3-methylbenzoyl]amino]propanoate Traditional Name: 3-(3-cyanophenyl)-3-[[3-methyl-4-(3-pyrroline-1-carbonyl)benzoyl]amino]propionic acid ethyl ester Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC(=C1)C#N)NC(=O)C2=CC(=C(C=C2)C(=O)N3CC=CC3)C

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC(=C1)C#N)NC(=O)C2=CC(=C(C=C2)C(=O)N3CC=CC3)C

InChI

InChI=1S/C25H25N3O4/c1-3-32-23(29)15-22(19-8-6-7-18(14-19)16-26)27-24(30)20-9-10-21(17(2)13-20)25(31)28-11-4-5-12-28/h4-10,13-14,22H,3,11-12,15H2,1-2H3,(H,27,30)