2-[(4-chloranyl-2-iodanyl-phenyl)carbonyl-prop-2-enyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(4-chloranyl-2-iodanyl-phenyl)carbonyl-prop-2-enyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[allyl-(4-chloro-2-iodo-benzoyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[(4-chloro-2-iodophenyl)-oxomethyl]-prop-2-enylamino]-3-phenylpropanoic acid IUPAC Name: 2-[(4-chloro-2-iodobenzoyl)-prop-2-enylamino]-3-phenylpropanoic acid Traditional Name: 2-[allyl-(4-chloro-2-iodo-benzoyl)amino]-3-phenyl-propionic acid Formula: C19H17ClINO3 MolecularWeight: 469.70065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C(CC1=CC=CC=C1)C(=O)O)C(=O)C2=C(C=C(C=C2)Cl)I

Isomeric SMILES

C=CCN(C(CC1=CC=CC=C1)C(=O)O)C(=O)C2=C(C=C(C=C2)Cl)I

InChI

InChI=1S/C19H17ClINO3/c1-2-10-22(18(23)15-9-8-14(20)12-16(15)21)17(19(24)25)11-13-6-4-3-5-7-13/h2-9,12,17H,1,10-11H2,(H,24,25)