3-[5-(4-cyanophenyl)pentanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-(4-cyanophenyl)pentanoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[5-(4-cyanophenyl)pentanoylamino]-3-phenyl-propanoic acid CAS Name: 3-[[5-(4-cyanophenyl)-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[5-(4-cyanophenyl)pentanoylamino]-3-phenylpropanoic acid Traditional Name: 3-[5-(4-cyanophenyl)pentanoylamino]-3-phenyl-propionic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H22N2O3/c22-15-17-12-10-16(11-13-17)6-4-5-9-20(24)23-19(14-21(25)26)18-7-2-1-3-8-18/h1-3,7-8,10-13,19H,4-6,9,14H2,(H,23,24)(H,25,26)