2-(phenylmethoxycarbonylamino)-3-[4-[2-[(4-pyridin-2-ylphenyl)carbonylamino]ethoxy]phenyl]propanoate

Systemtic Name: 2-(phenylmethoxycarbonylamino)-3-[4-[2-[(4-pyridin-2-ylphenyl)carbonylamino]ethoxy]phenyl]propanoate Openeye Name: 2-(benzyloxycarbonylamino)-3-[4-[2-[[4-(2-pyridyl)benzoyl]amino]ethoxy]phenyl]propanoate CAS Name: 3-[4-[2-[[oxo-[4-(2-pyridinyl)phenyl]methyl]amino]ethoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoate IUPAC Name: 2-(phenylmethoxycarbonylamino)-3-[4-[2-[(4-pyridin-2-ylbenzoyl)amino]ethoxy]phenyl]propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-[4-[2-[[4-(2-pyridyl)benzoyl]amino]ethoxy]phenyl]propionate Formula: C31H28N3O6- MolecularWeight: 538.57052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)OCCNC(=O)C3=CC=C(C=C3)C4=CC=CC=N4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)OCCNC(=O)C3=CC=C(C=C3)C4=CC=CC=N4)C(=O)[O-]

InChI

InChI=1S/C31H29N3O6/c35-29(25-13-11-24(12-14-25)27-8-4-5-17-32-27)33-18-19-39-26-15-9-22(10-16-26)20-28(30(36)37)34-31(38)40-21-23-6-2-1-3-7-23/h1-17,28H,18-21H2,(H,33,35)(H,34,38)(H,36,37)/p-1