aniline; 3-(4-azanyl-3,5-dimethyl-phenyl)but-3-enoic acid

Systemtic Name: aniline; 3-(4-azanyl-3,5-dimethyl-phenyl)but-3-enoic acid Openeye Name: 3-(4-amino-3,5-dimethyl-phenyl)but-3-enoic acid; aniline CAS Name: 3-(4-amino-3,5-dimethylphenyl)-3-butenoic acid; aniline IUPAC Name: 3-(4-amino-3,5-dimethylphenyl)but-3-enoic acid; aniline Traditional Name: 3-(4-amino-3,5-dimethyl-phenyl)but-3-enoic acid; phenylamine Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N)C)C(=C)CC(=O)O.C1=CC=C(C=C1)N

Isomeric SMILES

CC1=CC(=CC(=C1N)C)C(=C)CC(=O)O.C1=CC=C(C=C1)N

InChI

InChI=1S/C12H15NO2.C6H7N/c1-7(6-11(14)15)10-4-8(2)12(13)9(3)5-10;7-6-4-2-1-3-5-6/h4-5H,1,6,13H2,2-3H3,(H,14,15);1-5H,7H2