methyl 4-[[6-(2-cyclopentylethanoylamino)benzotriazol-1-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[6-(2-cyclopentylethanoylamino)benzotriazol-1-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[6-[(2-cyclopentylacetyl)amino]benzotriazol-1-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[6-[(2-cyclopentyl-1-oxoethyl)amino]-1-benzotriazolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[6-[(2-cyclopentylacetyl)amino]benzotriazol-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[6-[(2-cyclopentylacetyl)amino]benzotriazol-1-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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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)CC4CCCC4)N=N2

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CN2C3=C(C=CC(=C3)NC(=O)CC4CCCC4)N=N2

InChI

InChI=1S/C23H26N4O4/c1-30-21-12-16(23(29)31-2)7-8-17(21)14-27-20-13-18(9-10-19(20)25-26-27)24-22(28)11-15-5-3-4-6-15/h7-10,12-13,15H,3-6,11,14H2,1-2H3,(H,24,28)