3-[4-[5-[(4-azanyl-2-phenyl-butanoyl)amino]-1H-indazol-3-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[5-[(4-azanyl-2-phenyl-butanoyl)amino]-1H-indazol-3-yl]phenyl]propanoic acid Openeye Name: 3-[4-[5-[(4-amino-2-phenyl-butanoyl)amino]-1H-indazol-3-yl]phenyl]propanoic acid CAS Name: 3-[4-[5-[(4-amino-1-oxo-2-phenylbutyl)amino]-1H-indazol-3-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]phenyl]propanoic acid Traditional Name: 3-[4-[5-[(4-amino-2-phenyl-butanoyl)amino]-1H-indazol-3-yl]phenyl]propionic acid Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCN)C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CCN)C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C26H26N4O3/c27-15-14-21(18-4-2-1-3-5-18)26(33)28-20-11-12-23-22(16-20)25(30-29-23)19-9-6-17(7-10-19)8-13-24(31)32/h1-7,9-12,16,21H,8,13-15,27H2,(H,28,33)(H,29,30)(H,31,32)