[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 5-(phenoxymethyl)furan-2-carboxylate CAS Name: 5-(phenoxymethyl)-2-furancarboxylic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate Traditional Name: 5-(phenoxymethyl)furan-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=C(O2)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CC=C(O2)COC3=CC=CC=C3

InChI

InChI=1S/C22H21NO5/c1-15-8-10-17(11-9-15)23-21(24)16(2)27-22(25)20-13-12-19(28-20)14-26-18-6-4-3-5-7-18/h3-13,16H,14H2,1-2H3,(H,23,24)/t16-/m0/s1