ethyl 3-[3-nitro-4-[2-[(4-pyridin-2-ylphenyl)carbonylamino]ethoxy]phenyl]-2-phenoxy-propanoate

Systemtic Name: ethyl 3-[3-nitro-4-[2-[(4-pyridin-2-ylphenyl)carbonylamino]ethoxy]phenyl]-2-phenoxy-propanoate Openeye Name: ethyl 3-[3-nitro-4-[2-[[4-(2-pyridyl)benzoyl]amino]ethoxy]phenyl]-2-phenoxy-propanoate CAS Name: 3-[3-nitro-4-[2-[[oxo-[4-(2-pyridinyl)phenyl]methyl]amino]ethoxy]phenyl]-2-phenoxypropanoic acid ethyl ester IUPAC Name: ethyl 3-[3-nitro-4-[2-[(4-pyridin-2-ylbenzoyl)amino]ethoxy]phenyl]-2-phenoxypropanoate Traditional Name: 3-[3-nitro-4-[2-[[4-(2-pyridyl)benzoyl]amino]ethoxy]phenyl]-2-phenoxy-propionic acid ethyl ester Formula: C31H29N3O7 MolecularWeight: 555.57786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C=C1)OCCNC(=O)C2=CC=C(C=C2)C3=CC=CC=N3)[N+](=O)[O-])OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C=C1)OCCNC(=O)C2=CC=C(C=C2)C3=CC=CC=N3)[N+](=O)[O-])OC4=CC=CC=C4

InChI

InChI=1S/C31H29N3O7/c1-2-39-31(36)29(41-25-8-4-3-5-9-25)21-22-11-16-28(27(20-22)34(37)38)40-19-18-33-30(35)24-14-12-23(13-15-24)26-10-6-7-17-32-26/h3-17,20,29H,2,18-19,21H2,1H3,(H,33,35)