5-[4-(4-heptoxyphenyl)phenyl]-2-(1-phenylethylamino)-2-(phenylmethyl)pentanoic acid

Systemtic Name: 5-[4-(4-heptoxyphenyl)phenyl]-2-(1-phenylethylamino)-2-(phenylmethyl)pentanoic acid Openeye Name: 2-benzyl-5-[4-(4-heptoxyphenyl)phenyl]-2-(1-phenylethylamino)pentanoic acid CAS Name: 5-[4-(4-heptoxyphenyl)phenyl]-2-(1-phenylethylamino)-2-(phenylmethyl)pentanoic acid IUPAC Name: 2-benzyl-5-[4-(4-heptoxyphenyl)phenyl]-2-(1-phenylethylamino)pentanoic acid Traditional Name: 2-benzyl-5-[4-(4-heptoxyphenyl)phenyl]-2-(1-phenylethylamino)valeric acid Formula: C39H47NO3 MolecularWeight: 577.79538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(CC3=CC=CC=C3)(C(=O)O)NC(C)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(CC3=CC=CC=C3)(C(=O)O)NC(C)C4=CC=CC=C4

InChI

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