2-[3,4-bis(4-chlorophenyl)-5-ethanoyl-6-oxidanylidene-pyridazin-1-yl]ethyl 3-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: 2-[3,4-bis(4-chlorophenyl)-5-ethanoyl-6-oxidanylidene-pyridazin-1-yl]ethyl 3-(phenylmethoxycarbonylamino)propanoate Openeye Name: 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxo-pyridazin-1-yl]ethyl 3-(benzyloxycarbonylamino)propanoate CAS Name: 3-(phenylmethoxycarbonylamino)propanoic acid 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxo-1-pyridazinyl]ethyl ester IUPAC Name: 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl 3-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(benzyloxycarbonylamino)propionic acid 2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-keto-pyridazin-1-yl]ethyl ester Formula: C31H27Cl2N3O6 MolecularWeight: 608.46858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=NN(C1=O)CCOC(=O)CCNC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)C1=C(C(=NN(C1=O)CCOC(=O)CCNC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C31H27Cl2N3O6/c1-20(37)27-28(22-7-11-24(32)12-8-22)29(23-9-13-25(33)14-10-23)35-36(30(27)39)17-18-41-26(38)15-16-34-31(40)42-19-21-5-3-2-4-6-21/h2-14H,15-19H2,1H3,(H,34,40)