3-[4-[5-(3-cyano-4-propan-2-yloxy-phenyl)-1,2,3,4-tetrazol-2-yl]-3-methyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[5-(3-cyano-4-propan-2-yloxy-phenyl)-1,2,3,4-tetrazol-2-yl]-3-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[5-(3-cyano-4-isopropoxy-phenyl)tetrazol-2-yl]-3-methyl-phenyl]propanoic acid CAS Name: 3-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-2-tetrazolyl]-3-methylphenyl]propanoic acid IUPAC Name: 3-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)tetrazol-2-yl]-3-methylphenyl]propanoic acid Traditional Name: 3-[4-[5-(3-cyano-4-isopropoxy-phenyl)tetrazol-2-yl]-3-methyl-phenyl]propionic acid Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCC(=O)O)N2N=C(N=N2)C3=CC(=C(C=C3)OC(C)C)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)CCC(=O)O)N2N=C(N=N2)C3=CC(=C(C=C3)OC(C)C)C#N

InChI

InChI=1S/C21H21N5O3/c1-13(2)29-19-8-6-16(11-17(19)12-22)21-23-25-26(24-21)18-7-4-15(10-14(18)3)5-9-20(27)28/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,27,28)