cyclohexanamine; (E)-4-(3,4-dimethoxyphenyl)-3-methyl-but-3-enoic acid

Systemtic Name: cyclohexanamine; (E)-4-(3,4-dimethoxyphenyl)-3-methyl-but-3-enoic acid Openeye Name: cyclohexanamine; (E)-4-(3,4-dimethoxyphenyl)-3-methyl-but-3-enoic acid CAS Name: cyclohexanamine; (E)-4-(3,4-dimethoxyphenyl)-3-methyl-3-butenoic acid IUPAC Name: cyclohexanamine; (E)-4-(3,4-dimethoxyphenyl)-3-methylbut-3-enoic acid Traditional Name: cyclohexylamine; (E)-4-(3,4-dimethoxyphenyl)-3-methyl-but-3-enoic acid Formula: C19H29NO4 MolecularWeight: 335.43786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=C(C=C1)OC)OC)CC(=O)O.C1CCC(CC1)N

Isomeric SMILES

C/C(=C\C1=CC(=C(C=C1)OC)OC)/CC(=O)O.C1CCC(CC1)N

InChI

InChI=1S/C13H16O4.C6H13N/c1-9(7-13(14)15)6-10-4-5-11(16-2)12(8-10)17-3;7-6-4-2-1-3-5-6/h4-6,8H,7H2,1-3H3,(H,14,15);6H,1-5,7H2/b9-6+;