[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 6-chlorochromane-3-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: 6-chlorochroman-3-carboxylic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C21H22ClNO4/c22-18-8-9-19-16(12-18)11-17(13-26-19)21(25)27-14-20(24)23-10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,17H,4,7,10-11,13-14H2,(H,23,24)