propyl 3,3-bis[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate

Systemtic Name: propyl 3,3-bis[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate Openeye Name: propyl 3,3-bis[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate CAS Name: 3,3-bis[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-pyrazolyl]propanoic acid propyl ester IUPAC Name: propyl 3,3-bis[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate Traditional Name: 3,3-bis[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propionic acid propyl ester Formula: C38H34Cl2N4O4 MolecularWeight: 681.60696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC(C1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC)C4=NN(C(=C4)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)OC

Isomeric SMILES

CCCOC(=O)CC(C1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC)C4=NN(C(=C4)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)OC

InChI

InChI=1S/C38H34Cl2N4O4/c1-4-21-48-38(45)22-33(34-23-36(25-5-9-27(39)10-6-25)43(41-34)29-13-17-31(46-2)18-14-29)35-24-37(26-7-11-28(40)12-8-26)44(42-35)30-15-19-32(47-3)20-16-30/h5-20,23-24,33H,4,21-22H2,1-3H3