4-[[6-(cyclopentyloxycarbonylamino)benzotriazol-1-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[6-(cyclopentyloxycarbonylamino)benzotriazol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-(cyclopentoxycarbonylamino)benzotriazol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[6-[[cyclopentyloxy(oxo)methyl]amino]-1-benzotriazolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[6-(cyclopentyloxycarbonylamino)benzotriazol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-(cyclopentoxycarbonylamino)benzotriazol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CN2C3=C(C=CC(=C3)NC(=O)OC4CCCC4)N=N2

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CN2C3=C(C=CC(=C3)NC(=O)OC4CCCC4)N=N2

InChI

InChI=1S/C21H22N4O5/c1-29-19-10-13(20(26)27)6-7-14(19)12-25-18-11-15(8-9-17(18)23-24-25)22-21(28)30-16-4-2-3-5-16/h6-11,16H,2-5,12H2,1H3,(H,22,28)(H,26,27)