azanyl 3-[1,4-bis(chloranyl)isoquinolin-7-yl]-3-oxidanylidene-2-(phenylmethyl)propanoate

Systemtic Name: azanyl 3-[1,4-bis(chloranyl)isoquinolin-7-yl]-3-oxidanylidene-2-(phenylmethyl)propanoate Openeye Name: amino 2-benzyl-3-(1,4-dichloro-7-isoquinolyl)-3-oxo-propanoate CAS Name: 3-(1,4-dichloro-7-isoquinolinyl)-3-oxo-2-(phenylmethyl)propanoic acid amino ester IUPAC Name: amino 2-benzyl-3-(1,4-dichloroisoquinolin-7-yl)-3-oxopropanoate Traditional Name: 2-benzyl-3-(1,4-dichloro-7-isoquinolyl)-3-keto-propionic acid amino ester Formula: C19H14Cl2N2O3 MolecularWeight: 389.23206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl)C(=O)ON

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl)C(=O)ON

InChI

InChI=1S/C19H14Cl2N2O3/c20-16-10-23-18(21)14-9-12(6-7-13(14)16)17(24)15(19(25)26-22)8-11-4-2-1-3-5-11/h1-7,9-10,15H,8,22H2