4-[6-(cyclopentyloxycarbonylamino)benzotriazol-1-yl]-3-methoxy-2-methyl-benzoic acid

Systemtic Name: 4-[6-(cyclopentyloxycarbonylamino)benzotriazol-1-yl]-3-methoxy-2-methyl-benzoic acid Openeye Name: 4-[6-(cyclopentoxycarbonylamino)benzotriazol-1-yl]-3-methoxy-2-methyl-benzoic acid CAS Name: 4-[6-[[cyclopentyloxy(oxo)methyl]amino]-1-benzotriazolyl]-3-methoxy-2-methylbenzoic acid IUPAC Name: 4-[6-(cyclopentyloxycarbonylamino)benzotriazol-1-yl]-3-methoxy-2-methylbenzoic acid Traditional Name: 4-[6-(cyclopentoxycarbonylamino)benzotriazol-1-yl]-3-methoxy-2-methyl-benzoic acid Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)N2C3=C(C=CC(=C3)NC(=O)OC4CCCC4)N=N2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1OC)N2C3=C(C=CC(=C3)NC(=O)OC4CCCC4)N=N2)C(=O)O

InChI

InChI=1S/C21H22N4O5/c1-12-15(20(26)27)8-10-17(19(12)29-2)25-18-11-13(7-9-16(18)23-24-25)22-21(28)30-14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,22,28)(H,26,27)