[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-(furan-2-ylmethylamino)benzoate

Systemtic Name: [(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-(furan-2-ylmethylamino)benzoate Openeye Name: [(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 2-(2-furylmethylamino)benzoate CAS Name: 2-(2-furanylmethylamino)benzoic acid [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate Traditional Name: 2-(2-furfurylamino)benzoic acid [(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC=CC=C2NCC3=CC=CO3

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCC1)OC(=O)C2=CC=CC=C2NCC3=CC=CO3

InChI

InChI=1S/C21H26N2O4/c1-15(20(24)23-16-8-3-2-4-9-16)27-21(25)18-11-5-6-12-19(18)22-14-17-10-7-13-26-17/h5-7,10-13,15-16,22H,2-4,8-9,14H2,1H3,(H,23,24)/t15-/m0/s1