2-[(2,4-dimethylphenyl)-dodecanoyl-carbamoyl]benzoic acid

Systemtic Name: 2-[(2,4-dimethylphenyl)-dodecanoyl-carbamoyl]benzoic acid Openeye Name: 2-[(2,4-dimethylphenyl)-dodecanoyl-carbamoyl]benzoic acid CAS Name: 2-[[2,4-dimethyl-N-(1-oxododecyl)anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[(2,4-dimethylphenyl)-dodecanoylcarbamoyl]benzoic acid Traditional Name: 2-[(2,4-dimethylphenyl)-lauroyl-carbamoyl]benzoic acid Formula: C28H37NO4 MolecularWeight: 451.59768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N(C1=C(C=C(C=C1)C)C)C(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)N(C1=C(C=C(C=C1)C)C)C(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C28H37NO4/c1-4-5-6-7-8-9-10-11-12-17-26(30)29(25-19-18-21(2)20-22(25)3)27(31)23-15-13-14-16-24(23)28(32)33/h13-16,18-20H,4-12,17H2,1-3H3,(H,32,33)