isoquinolin-1-ylmethyl 5,5-bis(chloranyl)-3-(4-fluoranylphenoxy)-2-propan-2-yl-pent-4-enoate

Systemtic Name: isoquinolin-1-ylmethyl 5,5-bis(chloranyl)-3-(4-fluoranylphenoxy)-2-propan-2-yl-pent-4-enoate Openeye Name: 1-isoquinolylmethyl 5,5-dichloro-3-(4-fluorophenoxy)-2-isopropyl-pent-4-enoate CAS Name: 5,5-dichloro-3-(4-fluorophenoxy)-2-propan-2-yl-4-pentenoic acid 1-isoquinolinylmethyl ester IUPAC Name: isoquinolin-1-ylmethyl 5,5-dichloro-3-(4-fluorophenoxy)-2-propan-2-ylpent-4-enoate Traditional Name: 5,5-dichloro-3-(4-fluorophenoxy)-2-isopropyl-pent-4-enoic acid 1-isoquinolylmethyl ester Formula: C24H22Cl2FNO3 MolecularWeight: 462.340783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C=C(Cl)Cl)OC1=CC=C(C=C1)F)C(=O)OCC2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)C(C(C=C(Cl)Cl)OC1=CC=C(C=C1)F)C(=O)OCC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C24H22Cl2FNO3/c1-15(2)23(21(13-22(25)26)31-18-9-7-17(27)8-10-18)24(29)30-14-20-19-6-4-3-5-16(19)11-12-28-20/h3-13,15,21,23H,14H2,1-2H3