3-[[4-[cyano(phenyl)methyl]phenyl]carbamoyl]hex-5-enoic acid

Systemtic Name: 3-[[4-[cyano(phenyl)methyl]phenyl]carbamoyl]hex-5-enoic acid Openeye Name: 3-[[4-[cyano(phenyl)methyl]phenyl]carbamoyl]hex-5-enoic acid CAS Name: 3-[[4-[cyano(phenyl)methyl]anilino]-oxomethyl]-5-hexenoic acid IUPAC Name: 3-[[4-[cyano(phenyl)methyl]phenyl]carbamoyl]hex-5-enoic acid Traditional Name: 3-[[4-[cyano(phenyl)methyl]phenyl]carbamoyl]hex-5-enoic acid Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC(=O)O)C(=O)NC1=CC=C(C=C1)C(C#N)C2=CC=CC=C2

Isomeric SMILES

C=CCC(CC(=O)O)C(=O)NC1=CC=C(C=C1)C(C#N)C2=CC=CC=C2

InChI

InChI=1S/C21H20N2O3/c1-2-6-17(13-20(24)25)21(26)23-18-11-9-16(10-12-18)19(14-22)15-7-4-3-5-8-15/h2-5,7-12,17,19H,1,6,13H2,(H,23,26)(H,24,25)