4-[5-ethyl-1-methyl-4-[3-[(2-phenethyl-4-phenyl-butyl)amino]phenyl]carbonyl-pyrrol-2-yl]butanoic acid

Systemtic Name: 4-[5-ethyl-1-methyl-4-[3-[(2-phenethyl-4-phenyl-butyl)amino]phenyl]carbonyl-pyrrol-2-yl]butanoic acid Openeye Name: 4-[5-ethyl-1-methyl-4-[3-[(2-phenethyl-4-phenyl-butyl)amino]benzoyl]pyrrol-2-yl]butanoic acid CAS Name: 4-[5-ethyl-1-methyl-4-[oxo-[3-[(2-phenethyl-4-phenylbutyl)amino]phenyl]methyl]-2-pyrrolyl]butanoic acid IUPAC Name: 4-[5-ethyl-1-methyl-4-[3-[(2-phenethyl-4-phenylbutyl)amino]benzoyl]pyrrol-2-yl]butanoic acid Traditional Name: 4-[5-ethyl-1-methyl-4-[3-[(2-phenethyl-4-phenyl-butyl)amino]benzoyl]pyrrol-2-yl]butyric acid Formula: C36H42N2O3 MolecularWeight: 550.73028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(N1C)CCCC(=O)O)C(=O)C2=CC(=CC=C2)NCC(CCC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=C(N1C)CCCC(=O)O)C(=O)C2=CC(=CC=C2)NCC(CCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C36H42N2O3/c1-3-34-33(25-32(38(34)2)18-11-19-35(39)40)36(41)30-16-10-17-31(24-30)37-26-29(22-20-27-12-6-4-7-13-27)23-21-28-14-8-5-9-15-28/h4-10,12-17,24-25,29,37H,3,11,18-23,26H2,1-2H3,(H,39,40)