4-[4-[(4-cyclohexylphenyl)-[(3,5-dimethylphenyl)carbamoylamino]methyl]phenoxy]butanoic acid

Systemtic Name: 4-[4-[(4-cyclohexylphenyl)-[(3,5-dimethylphenyl)carbamoylamino]methyl]phenoxy]butanoic acid Openeye Name: 4-[4-[(4-cyclohexylphenyl)-[(3,5-dimethylphenyl)carbamoylamino]methyl]phenoxy]butanoic acid CAS Name: 4-[4-[(4-cyclohexylphenyl)-[[(3,5-dimethylanilino)-oxomethyl]amino]methyl]phenoxy]butanoic acid IUPAC Name: 4-[4-[(4-cyclohexylphenyl)-[(3,5-dimethylphenyl)carbamoylamino]methyl]phenoxy]butanoic acid Traditional Name: 4-[4-[(4-cyclohexylphenyl)-[(3,5-dimethylphenyl)carbamoylamino]methyl]phenoxy]butyric acid Formula: C32H38N2O4 MolecularWeight: 514.65512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)NC(C2=CC=C(C=C2)C3CCCCC3)C4=CC=C(C=C4)OCCCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)NC(C2=CC=C(C=C2)C3CCCCC3)C4=CC=C(C=C4)OCCCC(=O)O)C

InChI

InChI=1S/C32H38N2O4/c1-22-19-23(2)21-28(20-22)33-32(37)34-31(26-12-10-25(11-13-26)24-7-4-3-5-8-24)27-14-16-29(17-15-27)38-18-6-9-30(35)36/h10-17,19-21,24,31H,3-9,18H2,1-2H3,(H,35,36)(H2,33,34,37)