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

Systemtic Name: methyl 2-[6-(2-cyclopentylethanoylamino)benzotriazol-1-yl]-3-methoxy-benzoate Openeye Name: methyl 2-[6-[(2-cyclopentylacetyl)amino]benzotriazol-1-yl]-3-methoxy-benzoate CAS Name: 2-[6-[(2-cyclopentyl-1-oxoethyl)amino]-1-benzotriazolyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 2-[6-[(2-cyclopentylacetyl)amino]benzotriazol-1-yl]-3-methoxybenzoate Traditional Name: 2-[6-[(2-cyclopentylacetyl)amino]benzotriazol-1-yl]-3-methoxy-benzoic acid methyl ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1N2C3=C(C=CC(=C3)NC(=O)CC4CCCC4)N=N2)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1N2C3=C(C=CC(=C3)NC(=O)CC4CCCC4)N=N2)C(=O)OC

InChI

InChI=1S/C22H24N4O4/c1-29-19-9-5-8-16(22(28)30-2)21(19)26-18-13-15(10-11-17(18)24-25-26)23-20(27)12-14-6-3-4-7-14/h5,8-11,13-14H,3-4,6-7,12H2,1-2H3,(H,23,27)