(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl) 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: (3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl) 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: (3-ethoxycarbonyl-2-phenyl-benzofuran-5-yl) 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid (3-ethoxycarbonyl-2-phenyl-5-benzofuranyl) ester IUPAC Name: (3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl) 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid (3-carbethoxy-2-phenyl-benzofuran-5-yl) ester Formula: C30H28N2O6 MolecularWeight: 512.55312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H28N2O6/c1-2-36-29(34)26-24-19-23(13-14-25(24)38-27(26)20-9-5-3-6-10-20)37-28(33)21-15-17-32(18-16-21)30(35)31-22-11-7-4-8-12-22/h3-14,19,21H,2,15-18H2,1H3,(H,31,35)