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

Systemtic Name: isoquinolin-1-ylmethyl 5,5-bis(chloranyl)-3-methyl-3-phenoxy-2-propan-2-yl-pent-4-enoate Openeye Name: 1-isoquinolylmethyl 5,5-dichloro-2-isopropyl-3-methyl-3-phenoxy-pent-4-enoate CAS Name: 5,5-dichloro-3-methyl-3-phenoxy-2-propan-2-yl-4-pentenoic acid 1-isoquinolinylmethyl ester IUPAC Name: isoquinolin-1-ylmethyl 5,5-dichloro-3-methyl-3-phenoxy-2-propan-2-ylpent-4-enoate Traditional Name: 5,5-dichloro-2-isopropyl-3-methyl-3-phenoxy-pent-4-enoic acid 1-isoquinolylmethyl ester Formula: C25H25Cl2NO3 MolecularWeight: 458.3769

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC=CC2=CC=CC=C21)C(C)(C=C(Cl)Cl)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OCC1=NC=CC2=CC=CC=C21)C(C)(C=C(Cl)Cl)OC3=CC=CC=C3

InChI

InChI=1S/C25H25Cl2NO3/c1-17(2)23(25(3,15-22(26)27)31-19-10-5-4-6-11-19)24(29)30-16-21-20-12-8-7-9-18(20)13-14-28-21/h4-15,17,23H,16H2,1-3H3