4-[3-cyano-6-[2-(phenylmethoxycarbonylamino)ethoxy]indol-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[3-cyano-6-[2-(phenylmethoxycarbonylamino)ethoxy]indol-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 4-[6-[2-(benzyloxycarbonylamino)ethoxy]-3-cyano-indol-1-yl]-2-hydroxy-benzoic acid CAS Name: 4-[3-cyano-6-[2-(phenylmethoxycarbonylamino)ethoxy]-1-indolyl]-2-hydroxybenzoic acid IUPAC Name: 4-[3-cyano-6-[2-(phenylmethoxycarbonylamino)ethoxy]indol-1-yl]-2-hydroxybenzoic acid Traditional Name: 4-[6-[2-(benzyloxycarbonylamino)ethoxy]-3-cyano-indol-1-yl]-2-hydroxy-benzoic acid Formula: C26H21N3O6 MolecularWeight: 471.46144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCOC2=CC3=C(C=C2)C(=CN3C4=CC(=C(C=C4)C(=O)O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCOC2=CC3=C(C=C2)C(=CN3C4=CC(=C(C=C4)C(=O)O)O)C#N

InChI

InChI=1S/C26H21N3O6/c27-14-18-15-29(19-6-8-22(25(31)32)24(30)12-19)23-13-20(7-9-21(18)23)34-11-10-28-26(33)35-16-17-4-2-1-3-5-17/h1-9,12-13,15,30H,10-11,16H2,(H,28,33)(H,31,32)