2-[[6-(2-cyclopentylethanoylamino)-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 2-[[6-(2-cyclopentylethanoylamino)-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 2-[[6-[(2-cyclopentylacetyl)amino]-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoic acid CAS Name: 2-[[6-[(2-cyclopentyl-1-oxoethyl)amino]-1,4-benzoxazin-4-yl]methyl]-3-methoxybenzoic acid IUPAC Name: 2-[[6-[(2-cyclopentylacetyl)amino]-1,4-benzoxazin-4-yl]methyl]-3-methoxybenzoic acid Traditional Name: 2-[[6-[(2-cyclopentylacetyl)amino]-1,4-benzoxazin-4-yl]methyl]-3-methoxy-benzoic acid Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1CN2C=COC3=C2C=C(C=C3)NC(=O)CC4CCCC4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1CN2C=COC3=C2C=C(C=C3)NC(=O)CC4CCCC4)C(=O)O

InChI

InChI=1S/C24H26N2O5/c1-30-21-8-4-7-18(24(28)29)19(21)15-26-11-12-31-22-10-9-17(14-20(22)26)25-23(27)13-16-5-2-3-6-16/h4,7-12,14,16H,2-3,5-6,13,15H2,1H3,(H,25,27)(H,28,29)