3-[1-(4-cyanophenyl)butylcarbamoylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[1-(4-cyanophenyl)butylcarbamoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[1-(4-cyanophenyl)butylcarbamoylamino]-3-phenyl-propanoic acid CAS Name: 3-[[[1-(4-cyanophenyl)butylamino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[1-(4-cyanophenyl)butylcarbamoylamino]-3-phenylpropanoic acid Traditional Name: 3-[1-(4-cyanophenyl)butylcarbamoylamino]-3-phenyl-propionic acid Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-2-6-18(17-11-9-15(14-22)10-12-17)23-21(27)24-19(13-20(25)26)16-7-4-3-5-8-16/h3-5,7-12,18-19H,2,6,13H2,1H3,(H,25,26)(H2,23,24,27)