[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylamino)benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylamino)benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(2-furylmethylamino)benzoate CAS Name: 2-(2-furanylmethylamino)benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate Traditional Name: 2-(2-furfurylamino)benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2NCC3=CC=CO3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2NCC3=CC=CO3

InChI

InChI=1S/C20H24N2O4/c23-19(22-11-5-1-2-6-12-22)15-26-20(24)17-9-3-4-10-18(17)21-14-16-8-7-13-25-16/h3-4,7-10,13,21H,1-2,5-6,11-12,14-15H2