[1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] chromane-3-carboxylate CAS Name: 3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: chroman-3-carboxylic acid [2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H20FNO4 MolecularWeight: 357.375503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2CC3=CC=CC=C3OC2

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2CC3=CC=CC=C3OC2

InChI

InChI=1S/C20H20FNO4/c1-13(19(23)22-11-14-6-8-17(21)9-7-14)26-20(24)16-10-15-4-2-3-5-18(15)25-12-16/h2-9,13,16H,10-12H2,1H3,(H,22,23)