methyl 3-[4-[4-azanyl-3-(pyridin-3-ylcarbonylamino)phenyl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[4-azanyl-3-(pyridin-3-ylcarbonylamino)phenyl]phenyl]propanoate Openeye Name: methyl 3-[4-[4-amino-3-(pyridine-3-carbonylamino)phenyl]phenyl]propanoate CAS Name: 3-[4-[4-amino-3-[[oxo(3-pyridinyl)methyl]amino]phenyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[4-amino-3-(pyridine-3-carbonylamino)phenyl]phenyl]propanoate Traditional Name: 3-[4-(4-amino-3-nicotinamido-phenyl)phenyl]propionic acid methyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C2=CC(=C(C=C2)N)NC(=O)C3=CN=CC=C3

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C2=CC(=C(C=C2)N)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H21N3O3/c1-28-21(26)11-6-15-4-7-16(8-5-15)17-9-10-19(23)20(13-17)25-22(27)18-3-2-12-24-14-18/h2-5,7-10,12-14H,6,11,23H2,1H3,(H,25,27)