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

Systemtic Name: 3-[3-(3-ethoxycarbonyl-5-phenethyl-2-phenyl-pyrrol-1-yl)phenyl]propanoic acid Openeye Name: 3-[3-(3-ethoxycarbonyl-5-phenethyl-2-phenyl-pyrrol-1-yl)phenyl]propanoic acid CAS Name: 3-[3-(3-ethoxycarbonyl-5-phenethyl-2-phenyl-1-pyrrolyl)phenyl]propanoic acid IUPAC Name: 3-[3-(3-ethoxycarbonyl-5-phenethyl-2-phenylpyrrol-1-yl)phenyl]propanoic acid Traditional Name: 3-[3-(3-carbethoxy-5-phenethyl-2-phenyl-pyrrol-1-yl)phenyl]propionic acid Formula: C30H29NO4 MolecularWeight: 467.55556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H29NO4/c1-2-35-30(34)27-21-26(18-16-22-10-5-3-6-11-22)31(29(27)24-13-7-4-8-14-24)25-15-9-12-23(20-25)17-19-28(32)33/h3-15,20-21H,2,16-19H2,1H3,(H,32,33)