aniline; 3-[4-(dimethylamino)-3,5-dimethoxy-phenyl]but-3-enoic acid

Systemtic Name: aniline; 3-[4-(dimethylamino)-3,5-dimethoxy-phenyl]but-3-enoic acid Openeye Name: aniline; 3-[4-(dimethylamino)-3,5-dimethoxy-phenyl]but-3-enoic acid CAS Name: aniline; 3-[4-(dimethylamino)-3,5-dimethoxyphenyl]-3-butenoic acid IUPAC Name: aniline; 3-[4-(dimethylamino)-3,5-dimethoxyphenyl]but-3-enoic acid Traditional Name: 3-[4-(dimethylamino)-3,5-dimethoxy-phenyl]but-3-enoic acid; phenylamine Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1OC)C(=C)CC(=O)O)OC.C1=CC=C(C=C1)N

Isomeric SMILES

CN(C)C1=C(C=C(C=C1OC)C(=C)CC(=O)O)OC.C1=CC=C(C=C1)N

InChI

InChI=1S/C14H19NO4.C6H7N/c1-9(6-13(16)17)10-7-11(18-4)14(15(2)3)12(8-10)19-5;7-6-4-2-1-3-5-6/h7-8H,1,6H2,2-5H3,(H,16,17);1-5H,7H2