2-(5-chloranyl-2-ethoxy-phenyl)-N,N-dimethyl-ethanamine; (E)-2-cyclohexylbut-2-enedioic acid

Systemtic Name: 2-(5-chloranyl-2-ethoxy-phenyl)-N,N-dimethyl-ethanamine; (E)-2-cyclohexylbut-2-enedioic acid Openeye Name: 2-(5-chloro-2-ethoxy-phenyl)-N,N-dimethyl-ethanamine; (E)-2-cyclohexylbut-2-enedioic acid CAS Name: 2-(5-chloro-2-ethoxyphenyl)-N,N-dimethylethanamine; (E)-2-cyclohexyl-2-butenedioic acid IUPAC Name: 2-(5-chloro-2-ethoxyphenyl)-N,N-dimethylethanamine; (E)-2-cyclohexylbut-2-enedioic acid Traditional Name: 2-(5-chloro-2-ethoxy-phenyl)ethyl-dimethyl-amine; (E)-2-cyclohexylbut-2-enedioic acid Formula: C22H32ClNO5 MolecularWeight: 425.94618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)CCN(C)C.C1CCC(CC1)C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)CCN(C)C.C1CCC(CC1)/C(=C\C(=O)O)/C(=O)O

InChI

InChI=1S/C12H18ClNO.C10H14O4/c1-4-15-12-6-5-11(13)9-10(12)7-8-14(2)3;11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h5-6,9H,4,7-8H2,1-3H3;6-7H,1-5H2,(H,11,12)(H,13,14)/b;8-6+