2-[(3-cyanophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)carbonylamino]butanoic acid

Systemtic Name: 2-[(3-cyanophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)carbonylamino]butanoic acid Openeye Name: 2-[(3-cyanophenyl)methyl]-3-[[4-(4-pyridyl)benzoyl]amino]butanoic acid CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[oxo-(4-pyridin-4-ylphenyl)methyl]amino]butanoic acid IUPAC Name: 2-[(3-cyanophenyl)methyl]-3-[(4-pyridin-4-ylbenzoyl)amino]butanoic acid Traditional Name: 2-(3-cyanobenzyl)-3-[[4-(4-pyridyl)benzoyl]amino]butyric acid Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C#N)C(=O)O)NC(=O)C2=CC=C(C=C2)C3=CC=NC=C3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C#N)C(=O)O)NC(=O)C2=CC=C(C=C2)C3=CC=NC=C3

InChI

InChI=1S/C24H21N3O3/c1-16(22(24(29)30)14-17-3-2-4-18(13-17)15-25)27-23(28)21-7-5-19(6-8-21)20-9-11-26-12-10-20/h2-13,16,22H,14H2,1H3,(H,27,28)(H,29,30)