[2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] chromane-3-carboxylate CAS Name: 3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: chroman-3-carboxylic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-ethyl] ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2CC3=CC=CC=C3OC2

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2CC3=CC=CC=C3OC2

InChI

InChI=1S/C22H23NO5/c1-14(2)21(25)23-18-9-7-15(8-10-18)19(24)13-28-22(26)17-11-16-5-3-4-6-20(16)27-12-17/h3-10,14,17H,11-13H2,1-2H3,(H,23,25)