(E)-2-(ethylcarbamoyl)-2-[(4-methylpentanoylamino)-phenyl-amino]-5-phenyl-pent-4-enoic acid

Systemtic Name: (E)-2-(ethylcarbamoyl)-2-[(4-methylpentanoylamino)-phenyl-amino]-5-phenyl-pent-4-enoic acid Openeye Name: (E)-2-(ethylcarbamoyl)-2-(N-(4-methylpentanoylamino)anilino)-5-phenyl-pent-4-enoic acid CAS Name: (E)-2-(ethylcarbamoyl)-2-(N-[(4-methyl-1-oxopentyl)amino]anilino)-5-phenyl-4-pentenoic acid IUPAC Name: (E)-2-(ethylcarbamoyl)-2-(N-(4-methylpentanoylamino)anilino)-5-phenylpent-4-enoic acid Traditional Name: (E)-2-(ethylcarbamoyl)-2-(N-(4-methylpentanoylamino)anilino)-5-phenyl-pent-4-enoic acid Formula: C26H33N3O4 MolecularWeight: 451.55792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(CC=CC1=CC=CC=C1)(C(=O)O)N(C2=CC=CC=C2)NC(=O)CCC(C)C

Isomeric SMILES

CCNC(=O)C(C/C=C/C1=CC=CC=C1)(C(=O)O)N(C2=CC=CC=C2)NC(=O)CCC(C)C

InChI

InChI=1S/C26H33N3O4/c1-4-27-24(31)26(25(32)33,19-11-14-21-12-7-5-8-13-21)29(22-15-9-6-10-16-22)28-23(30)18-17-20(2)3/h5-16,20H,4,17-19H2,1-3H3,(H,27,31)(H,28,30)(H,32,33)/b14-11+