3-[(2-azanyl-5-chloranyl-phenyl)-(phenylmethyl)amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[(2-azanyl-5-chloranyl-phenyl)-(phenylmethyl)amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-(2-amino-N-benzyl-5-chloro-anilino)-3-oxo-propanoic acid CAS Name: 3-(2-amino-5-chloro-N-(phenylmethyl)anilino)-3-oxopropanoic acid IUPAC Name: 3-(2-amino-N-benzyl-5-chloroanilino)-3-oxopropanoic acid Traditional Name: 3-(2-amino-N-benzyl-5-chloro-anilino)-3-keto-propionic acid Formula: C16H15ClN2O3 MolecularWeight: 318.7549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=C(C=CC(=C2)Cl)N)C(=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=C(C=CC(=C2)Cl)N)C(=O)CC(=O)O

InChI

InChI=1S/C16H15ClN2O3/c17-12-6-7-13(18)14(8-12)19(15(20)9-16(21)22)10-11-4-2-1-3-5-11/h1-8H,9-10,18H2,(H,21,22)