1-[[5-[5-(1-benzofuran-2-yl)-1,3-benzoxazol-2-yl]-2-methoxy-phenyl]carbamoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[5-[5-(1-benzofuran-2-yl)-1,3-benzoxazol-2-yl]-2-methoxy-phenyl]carbamoyl]piperidine-4-carboxylic acid Openeye Name: 1-[[5-[5-(benzofuran-2-yl)-1,3-benzoxazol-2-yl]-2-methoxy-phenyl]carbamoyl]piperidine-4-carboxylic acid CAS Name: 1-[[5-[5-(2-benzofuranyl)-1,3-benzoxazol-2-yl]-2-methoxyanilino]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[5-[5-(1-benzofuran-2-yl)-1,3-benzoxazol-2-yl]-2-methoxyphenyl]carbamoyl]piperidine-4-carboxylic acid Traditional Name: 1-[[5-[5-(benzofuran-2-yl)-1,3-benzoxazol-2-yl]-2-methoxy-phenyl]carbamoyl]isonipecotic acid Formula: C29H25N3O6 MolecularWeight: 511.5253

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C4=CC5=CC=CC=C5O4)NC(=O)N6CCC(CC6)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C4=CC5=CC=CC=C5O4)NC(=O)N6CCC(CC6)C(=O)O

InChI

InChI=1S/C29H25N3O6/c1-36-24-8-7-20(15-21(24)31-29(35)32-12-10-17(11-13-32)28(33)34)27-30-22-14-19(6-9-25(22)38-27)26-16-18-4-2-3-5-23(18)37-26/h2-9,14-17H,10-13H2,1H3,(H,31,35)(H,33,34)