4-[4-(3-ethoxycarbonyl-5-phenethyl-2-phenyl-pyrrol-1-yl)phenyl]butanoic acid

Systemtic Name: 4-[4-(3-ethoxycarbonyl-5-phenethyl-2-phenyl-pyrrol-1-yl)phenyl]butanoic acid Openeye Name: 4-[4-(3-ethoxycarbonyl-5-phenethyl-2-phenyl-pyrrol-1-yl)phenyl]butanoic acid CAS Name: 4-[4-(3-ethoxycarbonyl-5-phenethyl-2-phenyl-1-pyrrolyl)phenyl]butanoic acid IUPAC Name: 4-[4-(3-ethoxycarbonyl-5-phenethyl-2-phenylpyrrol-1-yl)phenyl]butanoic acid Traditional Name: 4-[4-(3-carbethoxy-5-phenethyl-2-phenyl-pyrrol-1-yl)phenyl]butyric acid Formula: C31H31NO4 MolecularWeight: 481.58214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)CCC2=CC=CC=C2)C3=CC=C(C=C3)CCCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)CCC2=CC=CC=C2)C3=CC=C(C=C3)CCCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C31H31NO4/c1-2-36-31(35)28-22-27(21-18-23-10-5-3-6-11-23)32(30(28)25-13-7-4-8-14-25)26-19-16-24(17-20-26)12-9-15-29(33)34/h3-8,10-11,13-14,16-17,19-20,22H,2,9,12,15,18,21H2,1H3,(H,33,34)