quinolin-2-ylmethyl 5,5-bis(chloranyl)-3-ethyl-4-phenoxy-2-propan-2-yl-pent-4-enoate

Systemtic Name: quinolin-2-ylmethyl 5,5-bis(chloranyl)-3-ethyl-4-phenoxy-2-propan-2-yl-pent-4-enoate Openeye Name: 2-quinolylmethyl 5,5-dichloro-3-ethyl-2-isopropyl-4-phenoxy-pent-4-enoate CAS Name: 5,5-dichloro-3-ethyl-4-phenoxy-2-propan-2-yl-4-pentenoic acid 2-quinolinylmethyl ester IUPAC Name: quinolin-2-ylmethyl 5,5-dichloro-3-ethyl-4-phenoxy-2-propan-2-ylpent-4-enoate Traditional Name: 5,5-dichloro-3-ethyl-2-isopropyl-4-phenoxy-pent-4-enoic acid 2-quinolylmethyl ester Formula: C26H27Cl2NO3 MolecularWeight: 472.40348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(C)C)C(=O)OCC1=NC2=CC=CC=C2C=C1)C(=C(Cl)Cl)OC3=CC=CC=C3

Isomeric SMILES

CCC(C(C(C)C)C(=O)OCC1=NC2=CC=CC=C2C=C1)C(=C(Cl)Cl)OC3=CC=CC=C3

InChI

InChI=1S/C26H27Cl2NO3/c1-4-21(24(25(27)28)32-20-11-6-5-7-12-20)23(17(2)3)26(30)31-16-19-15-14-18-10-8-9-13-22(18)29-19/h5-15,17,21,23H,4,16H2,1-3H3