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

Systemtic Name: 3-(3-cyanophenyl)-3-[[4-(2,5-dihydropyrrol-1-ylcarbonyl)-3-methyl-phenyl]carbonylamino]propanoic acid Openeye Name: 3-(3-cyanophenyl)-3-[[4-(2,5-dihydropyrrole-1-carbonyl)-3-methyl-benzoyl]amino]propanoic acid CAS Name: 3-(3-cyanophenyl)-3-[[[4-[2,5-dihydropyrrol-1-yl(oxo)methyl]-3-methylphenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(3-cyanophenyl)-3-[[4-(2,5-dihydropyrrole-1-carbonyl)-3-methylbenzoyl]amino]propanoic acid Traditional Name: 3-(3-cyanophenyl)-3-[[3-methyl-4-(3-pyrroline-1-carbonyl)benzoyl]amino]propionic acid Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(CC(=O)O)C2=CC=CC(=C2)C#N)C(=O)N3CC=CC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(CC(=O)O)C2=CC=CC(=C2)C#N)C(=O)N3CC=CC3

InChI

InChI=1S/C23H21N3O4/c1-15-11-18(7-8-19(15)23(30)26-9-2-3-10-26)22(29)25-20(13-21(27)28)17-6-4-5-16(12-17)14-24/h2-8,11-12,20H,9-10,13H2,1H3,(H,25,29)(H,27,28)