3-[4-[2-[(4-tert-butylphenyl)carbamoyl-heptyl-amino]ethyl]phenyl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[4-[2-[(4-tert-butylphenyl)carbamoyl-heptyl-amino]ethyl]phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[2-[(4-tert-butylphenyl)carbamoyl-heptyl-amino]ethyl]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[2-[[(4-tert-butylanilino)-oxomethyl]-heptylamino]ethyl]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[2-[(4-tert-butylphenyl)carbamoyl-heptylamino]ethyl]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[2-[(4-tert-butylphenyl)carbamoyl-heptyl-amino]ethyl]phenyl]-2-ethoxy-propionic acid Formula: C31H46N2O4 MolecularWeight: 510.70794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCC1=CC=C(C=C1)CC(C(=O)O)OCC)C(=O)NC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCCCN(CCC1=CC=C(C=C1)CC(C(=O)O)OCC)C(=O)NC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C31H46N2O4/c1-6-8-9-10-11-21-33(30(36)32-27-18-16-26(17-19-27)31(3,4)5)22-20-24-12-14-25(15-13-24)23-28(29(34)35)37-7-2/h12-19,28H,6-11,20-23H2,1-5H3,(H,32,36)(H,34,35)