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

Systemtic Name: 3-[4-[3-[(4-butylphenyl)carbamoyl-propyl-amino]propoxy]phenyl]-2-methyl-2-phenoxy-propanoic acid Openeye Name: 3-[4-[3-[(4-butylphenyl)carbamoyl-propyl-amino]propoxy]phenyl]-2-methyl-2-phenoxy-propanoic acid CAS Name: 3-[4-[3-[[(4-butylanilino)-oxomethyl]-propylamino]propoxy]phenyl]-2-methyl-2-phenoxypropanoic acid IUPAC Name: 3-[4-[3-[(4-butylphenyl)carbamoyl-propylamino]propoxy]phenyl]-2-methyl-2-phenoxypropanoic acid Traditional Name: 3-[4-[3-[(4-butylphenyl)carbamoyl-propyl-amino]propoxy]phenyl]-2-methyl-2-phenoxy-propionic acid Formula: C33H42N2O5 MolecularWeight: 546.69698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H42N2O5/c1-4-6-11-26-14-18-28(19-15-26)34-32(38)35(22-5-2)23-10-24-39-29-20-16-27(17-21-29)25-33(3,31(36)37)40-30-12-8-7-9-13-30/h7-9,12-21H,4-6,10-11,22-25H2,1-3H3,(H,34,38)(H,36,37)