methyl 4,4-bis[3-chloranyl-4-(quinolin-2-ylmethoxy)phenyl]pentanoate

Systemtic Name: methyl 4,4-bis[3-chloranyl-4-(quinolin-2-ylmethoxy)phenyl]pentanoate Openeye Name: methyl 4,4-bis[3-chloro-4-(2-quinolylmethoxy)phenyl]pentanoate CAS Name: 4,4-bis[3-chloro-4-(2-quinolinylmethoxy)phenyl]pentanoic acid methyl ester IUPAC Name: methyl 4,4-bis[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]pentanoate Traditional Name: 4,4-bis[3-chloro-4-(2-quinolylmethoxy)phenyl]valeric acid methyl ester Formula: C38H32Cl2N2O4 MolecularWeight: 651.57768

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)(C1=CC(=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)Cl)C4=CC(=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)Cl

Isomeric SMILES

CC(CCC(=O)OC)(C1=CC(=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)Cl)C4=CC(=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)Cl

InChI

InChI=1S/C38H32Cl2N2O4/c1-38(20-19-37(43)44-2,27-13-17-35(31(39)21-27)45-23-29-15-11-25-7-3-5-9-33(25)41-29)28-14-18-36(32(40)22-28)46-24-30-16-12-26-8-4-6-10-34(26)42-30/h3-18,21-22H,19-20,23-24H2,1-2H3