3-[[3-(3-azanyl-4-morpholin-4-yl-phenyl)phenyl]methyl-pyridin-3-ylcarbonyl-amino]propanoic acid

Systemtic Name: 3-[[3-(3-azanyl-4-morpholin-4-yl-phenyl)phenyl]methyl-pyridin-3-ylcarbonyl-amino]propanoic acid Openeye Name: 3-[[3-(3-amino-4-morpholino-phenyl)phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid CAS Name: 3-[[3-[3-amino-4-(4-morpholinyl)phenyl]phenyl]methyl-[oxo(3-pyridinyl)methyl]amino]propanoic acid IUPAC Name: 3-[[3-(3-amino-4-morpholin-4-ylphenyl)phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid Traditional Name: 3-[[3-(3-amino-4-morpholino-phenyl)benzyl]-nicotinoyl-amino]propionic acid Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4=CN=CC=C4)N

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4=CN=CC=C4)N

InChI

InChI=1S/C26H28N4O4/c27-23-16-21(6-7-24(23)29-11-13-34-14-12-29)20-4-1-3-19(15-20)18-30(10-8-25(31)32)26(33)22-5-2-9-28-17-22/h1-7,9,15-17H,8,10-14,18,27H2,(H,31,32)