4-[3-[[4-phenylbutyl(phenylcarbamoyl)amino]methyl]phenoxy]butanoic acid

Systemtic Name: 4-[3-[[4-phenylbutyl(phenylcarbamoyl)amino]methyl]phenoxy]butanoic acid Openeye Name: 4-[3-[[4-phenylbutyl(phenylcarbamoyl)amino]methyl]phenoxy]butanoic acid CAS Name: 4-[3-[[[anilino(oxo)methyl]-(4-phenylbutyl)amino]methyl]phenoxy]butanoic acid IUPAC Name: 4-[3-[[4-phenylbutyl(phenylcarbamoyl)amino]methyl]phenoxy]butanoic acid Traditional Name: 4-[3-[[4-phenylbutyl(phenylcarbamoyl)amino]methyl]phenoxy]butyric acid Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCN(CC2=CC(=CC=C2)OCCCC(=O)O)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCN(CC2=CC(=CC=C2)OCCCC(=O)O)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C28H32N2O4/c31-27(32)18-10-20-34-26-17-9-14-24(21-26)22-30(28(33)29-25-15-5-2-6-16-25)19-8-7-13-23-11-3-1-4-12-23/h1-6,9,11-12,14-17,21H,7-8,10,13,18-20,22H2,(H,29,33)(H,31,32)