1-[2-[3,3-bis(4-chloranyl-2-methyl-phenyl)prop-2-enoxy]ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[3,3-bis(4-chloranyl-2-methyl-phenyl)prop-2-enoxy]ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[3,3-bis(4-chloro-2-methyl-phenyl)allyloxy]ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[3,3-bis(4-chloro-2-methylphenyl)prop-2-enoxy]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[3,3-bis(4-chloro-2-methylphenyl)prop-2-enoxy]ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[3,3-bis(4-chloro-2-methyl-phenyl)allyloxy]ethyl]nipecotic acid Formula: C25H29Cl2NO3 MolecularWeight: 462.40866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=CCOCCN2CCCC(C2)C(=O)O)C3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=CCOCCN2CCCC(C2)C(=O)O)C3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C25H29Cl2NO3/c1-17-14-20(26)5-7-22(17)24(23-8-6-21(27)15-18(23)2)9-12-31-13-11-28-10-3-4-19(16-28)25(29)30/h5-9,14-15,19H,3-4,10-13,16H2,1-2H3,(H,29,30)