3-(3-ethoxycarbonyl-5-phenethyl-2-phenyl-pyrrol-1-yl)benzoic acid

Systemtic Name: 3-(3-ethoxycarbonyl-5-phenethyl-2-phenyl-pyrrol-1-yl)benzoic acid Openeye Name: 3-(3-ethoxycarbonyl-5-phenethyl-2-phenyl-pyrrol-1-yl)benzoic acid CAS Name: 3-(3-ethoxycarbonyl-5-phenethyl-2-phenyl-1-pyrrolyl)benzoic acid IUPAC Name: 3-(3-ethoxycarbonyl-5-phenethyl-2-phenylpyrrol-1-yl)benzoic acid Traditional Name: 3-(3-carbethoxy-5-phenethyl-2-phenyl-pyrrol-1-yl)benzoic acid Formula: C28H25NO4 MolecularWeight: 439.5024

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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)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H25NO4/c1-2-33-28(32)25-19-24(17-16-20-10-5-3-6-11-20)29(26(25)21-12-7-4-8-13-21)23-15-9-14-22(18-23)27(30)31/h3-15,18-19H,2,16-17H2,1H3,(H,30,31)