tert-butyl (2R)-2-[2,2-bis(4-dimethylaminophenyl)ethenyl]-5-chloranyl-pentanoate

Systemtic Name: tert-butyl (2R)-2-[2,2-bis(4-dimethylaminophenyl)ethenyl]-5-chloranyl-pentanoate Openeye Name: tert-butyl (2R)-2-[2,2-bis(4-dimethylaminophenyl)vinyl]-5-chloro-pentanoate CAS Name: (2R)-2-[2,2-bis(4-dimethylaminophenyl)ethenyl]-5-chloropentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[2,2-bis(4-dimethylaminophenyl)ethenyl]-5-chloropentanoate Traditional Name: (2R)-2-(3-chloropropyl)-4,4-bis(4-dimethylaminophenyl)but-3-enoic acid tert-butyl ester Formula: C27H37ClN2O2 MolecularWeight: 457.04788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCCl)C=C(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CCCCl)C=C(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C27H37ClN2O2/c1-27(2,3)32-26(31)22(9-8-18-28)19-25(20-10-14-23(15-11-20)29(4)5)21-12-16-24(17-13-21)30(6)7/h10-17,19,22H,8-9,18H2,1-7H3/t22-/m1/s1