5-[4-(4-heptoxyphenyl)phenyl]-3-[1-phenylethyl-(phenylmethyl)amino]pentanoic acid

Systemtic Name: 5-[4-(4-heptoxyphenyl)phenyl]-3-[1-phenylethyl-(phenylmethyl)amino]pentanoic acid Openeye Name: 3-[benzyl(1-phenylethyl)amino]-5-[4-(4-heptoxyphenyl)phenyl]pentanoic acid CAS Name: 5-[4-(4-heptoxyphenyl)phenyl]-3-[1-phenylethyl-(phenylmethyl)amino]pentanoic acid IUPAC Name: 3-[benzyl(1-phenylethyl)amino]-5-[4-(4-heptoxyphenyl)phenyl]pentanoic acid Traditional Name: 3-[benzyl(1-phenylethyl)amino]-5-[4-(4-heptoxyphenyl)phenyl]valeric acid Formula: C39H47NO3 MolecularWeight: 577.79538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCC(CC(=O)O)N(CC3=CC=CC=C3)C(C)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCC(CC(=O)O)N(CC3=CC=CC=C3)C(C)C4=CC=CC=C4

InChI

InChI=1S/C39H47NO3/c1-3-4-5-6-13-28-43-38-26-23-36(24-27-38)35-21-18-32(19-22-35)20-25-37(29-39(41)42)40(30-33-14-9-7-10-15-33)31(2)34-16-11-8-12-17-34/h7-12,14-19,21-24,26-27,31,37H,3-6,13,20,25,28-30H2,1-2H3,(H,41,42)