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

Systemtic Name: methyl 4-[[6-(cyclopentyloxycarbonylamino)benzotriazol-1-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[6-(cyclopentoxycarbonylamino)benzotriazol-1-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[6-[[cyclopentyloxy(oxo)methyl]amino]-1-benzotriazolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[6-(cyclopentyloxycarbonylamino)benzotriazol-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[6-(cyclopentoxycarbonylamino)benzotriazol-1-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O5/c1-29-20-11-14(21(27)30-2)7-8-15(20)13-26-19-12-16(9-10-18(19)24-25-26)23-22(28)31-17-5-3-4-6-17/h7-12,17H,3-6,13H2,1-2H3,(H,23,28)