3-[3-azanyl-5-(1-methylindazol-5-yl)-4-(1-phenylethoxy)phenyl]propanoic acid

Systemtic Name: 3-[3-azanyl-5-(1-methylindazol-5-yl)-4-(1-phenylethoxy)phenyl]propanoic acid Openeye Name: 3-[3-amino-5-(1-methylindazol-5-yl)-4-(1-phenylethoxy)phenyl]propanoic acid CAS Name: 3-[3-amino-5-(1-methyl-5-indazolyl)-4-(1-phenylethoxy)phenyl]propanoic acid IUPAC Name: 3-[3-amino-5-(1-methylindazol-5-yl)-4-(1-phenylethoxy)phenyl]propanoic acid Traditional Name: 3-[3-amino-5-(1-methylindazol-5-yl)-4-(1-phenylethoxy)phenyl]propionic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC2=C(C=C(C=C2C3=CC4=C(C=C3)N(N=C4)C)CCC(=O)O)N

Isomeric SMILES

CC(C1=CC=CC=C1)OC2=C(C=C(C=C2C3=CC4=C(C=C3)N(N=C4)C)CCC(=O)O)N

InChI

InChI=1S/C25H25N3O3/c1-16(18-6-4-3-5-7-18)31-25-21(12-17(13-22(25)26)8-11-24(29)30)19-9-10-23-20(14-19)15-27-28(23)2/h3-7,9-10,12-16H,8,11,26H2,1-2H3,(H,29,30)