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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1CN2C3=C(C=CC(=C3)NC(=O)CC4CCCC4)N=N2)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1CN2C3=C(C=CC(=C3)NC(=O)CC4CCCC4)N=N2)C(=O)O

InChI

InChI=1S/C22H24N4O4/c1-30-20-8-4-7-16(22(28)29)17(20)13-26-19-12-15(9-10-18(19)24-25-26)23-21(27)11-14-5-2-3-6-14/h4,7-10,12,14H,2-3,5-6,11,13H2,1H3,(H,23,27)(H,28,29)