sodium 2-[[(Z)-4-(2-hydroxyethylamino)-4-oxidanylidene-but-2-en-2-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: sodium 2-[[(Z)-4-(2-hydroxyethylamino)-4-oxidanylidene-but-2-en-2-yl]amino]-3-phenyl-propanoic acid Openeye Name: sodium 2-[[(Z)-3-(2-hydroxyethylamino)-1-methyl-3-oxo-prop-1-enyl]amino]-3-phenyl-propanoic acid CAS Name: sodium 2-[[(Z)-4-(2-hydroxyethylamino)-4-oxobut-2-en-2-yl]amino]-3-phenylpropanoic acid IUPAC Name: sodium 2-[[(Z)-4-(2-hydroxyethylamino)-4-oxobut-2-en-2-yl]amino]-3-phenylpropanoic acid Traditional Name: sodium 2-[[(Z)-3-(2-hydroxyethylamino)-3-keto-1-methyl-prop-1-enyl]amino]-3-phenyl-propionic acid Formula: C15H20N2NaO4+ MolecularWeight: 315.32007

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NCCO)NC(CC1=CC=CC=C1)C(=O)O.[Na+]

Isomeric SMILES

C/C(=C/C(=O)NCCO)/NC(CC1=CC=CC=C1)C(=O)O.[Na+]

InChI

InChI=1S/C15H20N2O4.Na/c1-11(9-14(19)16-7-8-18)17-13(15(20)21)10-12-5-3-2-4-6-12;/h2-6,9,13,17-18H,7-8,10H2,1H3,(H,16,19)(H,20,21);/q;+1/b11-9-;