4-[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]phenoxy]butanoic acid

Systemtic Name: 4-[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]phenoxy]butanoic acid Openeye Name: 4-[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]phenoxy]butanoic acid CAS Name: 4-[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylanilino)-oxomethyl]amino]methyl]phenoxy]butanoic acid IUPAC Name: 4-[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]phenoxy]butanoic acid Traditional Name: 4-[4-[[(4-tert-butylcyclohexyl)-[(3,5-dimethylphenyl)carbamoyl]amino]methyl]phenoxy]butyric acid Formula: C30H42N2O4 MolecularWeight: 494.66548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)N(CC2=CC=C(C=C2)OCCCC(=O)O)C3CCC(CC3)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)N(CC2=CC=C(C=C2)OCCCC(=O)O)C3CCC(CC3)C(C)(C)C)C

InChI

InChI=1S/C30H42N2O4/c1-21-17-22(2)19-25(18-21)31-29(35)32(26-12-10-24(11-13-26)30(3,4)5)20-23-8-14-27(15-9-23)36-16-6-7-28(33)34/h8-9,14-15,17-19,24,26H,6-7,10-13,16,20H2,1-5H3,(H,31,35)(H,33,34)