2-[(3-azanylindazol-1-yl)methyl]-6-cyclopentyloxycarbonyl-3-methoxy-benzoic acid

Systemtic Name: 2-[(3-azanylindazol-1-yl)methyl]-6-cyclopentyloxycarbonyl-3-methoxy-benzoic acid Openeye Name: 2-[(3-aminoindazol-1-yl)methyl]-6-(cyclopentoxycarbonyl)-3-methoxy-benzoic acid CAS Name: 2-[(3-amino-1-indazolyl)methyl]-6-[cyclopentyloxy(oxo)methyl]-3-methoxybenzoic acid IUPAC Name: 2-[(3-aminoindazol-1-yl)methyl]-6-cyclopentyloxycarbonyl-3-methoxybenzoic acid Traditional Name: 2-[(3-aminoindazol-1-yl)methyl]-6-(cyclopentoxycarbonyl)-3-methoxy-benzoic acid Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)OC2CCCC2)C(=O)O)CN3C4=CC=CC=C4C(=N3)N

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)OC2CCCC2)C(=O)O)CN3C4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C22H23N3O5/c1-29-18-11-10-15(22(28)30-13-6-2-3-7-13)19(21(26)27)16(18)12-25-17-9-5-4-8-14(17)20(23)24-25/h4-5,8-11,13H,2-3,6-7,12H2,1H3,(H2,23,24)(H,26,27)