methyl 4-[[(1S,2R)-2-butylcyclopropyl]-(furan-2-ylcarbonylamino)methyl]benzoate

Systemtic Name: methyl 4-[[(1S,2R)-2-butylcyclopropyl]-(furan-2-ylcarbonylamino)methyl]benzoate Openeye Name: methyl 4-[[(1S,2R)-2-butylcyclopropyl]-(furan-2-carbonylamino)methyl]benzoate CAS Name: 4-[[(1S,2R)-2-butylcyclopropyl]-[[2-furanyl(oxo)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1S,2R)-2-butylcyclopropyl]-(furan-2-carbonylamino)methyl]benzoate Traditional Name: 4-[[(1S,2R)-2-butylcyclopropyl]-(2-furoylamino)methyl]benzoic acid methyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC1C(C2=CC=C(C=C2)C(=O)OC)NC(=O)C3=CC=CO3

Isomeric SMILES

CCCC[C@@H]1C[C@@H]1C(C2=CC=C(C=C2)C(=O)OC)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H25NO4/c1-3-4-6-16-13-17(16)19(22-20(23)18-7-5-12-26-18)14-8-10-15(11-9-14)21(24)25-2/h5,7-12,16-17,19H,3-4,6,13H2,1-2H3,(H,22,23)/t16-,17+,19?/m1/s1