3-(4-bromophenyl)-3-(prop-2-enylamino)-2-[(prop-2-enylamino)methyl]propanoic acid

Systemtic Name: 3-(4-bromophenyl)-3-(prop-2-enylamino)-2-[(prop-2-enylamino)methyl]propanoic acid Openeye Name: 3-(allylamino)-2-[(allylamino)methyl]-3-(4-bromophenyl)propanoic acid CAS Name: 3-(4-bromophenyl)-3-(prop-2-enylamino)-2-[(prop-2-enylamino)methyl]propanoic acid IUPAC Name: 3-(4-bromophenyl)-3-(prop-2-enylamino)-2-[(prop-2-enylamino)methyl]propanoic acid Traditional Name: 3-(allylamino)-2-[(allylamino)methyl]-3-(4-bromophenyl)propionic acid Formula: C16H21BrN2O2 MolecularWeight: 353.25414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNCC(C(C1=CC=C(C=C1)Br)NCC=C)C(=O)O

Isomeric SMILES

C=CCNCC(C(C1=CC=C(C=C1)Br)NCC=C)C(=O)O

InChI

InChI=1S/C16H21BrN2O2/c1-3-9-18-11-14(16(20)21)15(19-10-4-2)12-5-7-13(17)8-6-12/h3-8,14-15,18-19H,1-2,9-11H2,(H,20,21)