3-[4-[3-[(4-butylphenyl)carbamoyl-phenyl-amino]propoxy]phenyl]-2-methyl-2-phenoxy-propanoic acid

Systemtic Name: 3-[4-[3-[(4-butylphenyl)carbamoyl-phenyl-amino]propoxy]phenyl]-2-methyl-2-phenoxy-propanoic acid Openeye Name: 3-[4-[3-[N-[(4-butylphenyl)carbamoyl]anilino]propoxy]phenyl]-2-methyl-2-phenoxy-propanoic acid CAS Name: 3-[4-[3-(N-[(4-butylanilino)-oxomethyl]anilino)propoxy]phenyl]-2-methyl-2-phenoxypropanoic acid IUPAC Name: 3-[4-[3-[N-[(4-butylphenyl)carbamoyl]anilino]propoxy]phenyl]-2-methyl-2-phenoxypropanoic acid Traditional Name: 3-[4-[3-[N-[(4-butylphenyl)carbamoyl]anilino]propoxy]phenyl]-2-methyl-2-phenoxy-propionic acid Formula: C36H40N2O5 MolecularWeight: 580.7132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)N(CCCOC2=CC=C(C=C2)CC(C)(C(=O)O)OC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)N(CCCOC2=CC=C(C=C2)CC(C)(C(=O)O)OC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C36H40N2O5/c1-3-4-12-28-17-21-30(22-18-28)37-35(41)38(31-13-7-5-8-14-31)25-11-26-42-32-23-19-29(20-24-32)27-36(2,34(39)40)43-33-15-9-6-10-16-33/h5-10,13-24H,3-4,11-12,25-27H2,1-2H3,(H,37,41)(H,39,40)