methyl 4-[3-(furan-2-ylmethylamino)propanoylamino]benzoate

Systemtic Name: methyl 4-[3-(furan-2-ylmethylamino)propanoylamino]benzoate Openeye Name: methyl 4-[3-(2-furylmethylamino)propanoylamino]benzoate CAS Name: 4-[[3-(2-furanylmethylamino)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(furan-2-ylmethylamino)propanoylamino]benzoate Traditional Name: 4-[3-(2-furfurylamino)propanoylamino]benzoic acid methyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCNCC2=CC=CO2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCNCC2=CC=CO2

InChI

InChI=1S/C16H18N2O4/c1-21-16(20)12-4-6-13(7-5-12)18-15(19)8-9-17-11-14-3-2-10-22-14/h2-7,10,17H,8-9,11H2,1H3,(H,18,19)