(E)-4-[(3-chlorophenyl)methyl-propyl-amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(3-chlorophenyl)methyl-propyl-amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(3-chlorophenyl)methyl-propyl-amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(3-chlorophenyl)methyl-propylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(3-chlorophenyl)methyl-propylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(3-chlorobenzyl)-propyl-amino]-4-keto-but-2-enoic acid Formula: C14H16ClNO3 MolecularWeight: 281.73474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC(=CC=C1)Cl)C(=O)C=CC(=O)O

Isomeric SMILES

CCCN(CC1=CC(=CC=C1)Cl)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H16ClNO3/c1-2-8-16(13(17)6-7-14(18)19)10-11-4-3-5-12(15)9-11/h3-7,9H,2,8,10H2,1H3,(H,18,19)/b7-6+