[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(1-naphthylamino)-2-oxo-ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-(1-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [2-keto-2-(1-naphthylamino)ethyl] ester Formula: C22H18ClNO4 MolecularWeight: 395.83562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1[C@@H](COC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H18ClNO4/c23-17-8-9-20-15(11-17)10-16(12-27-20)22(26)28-13-21(25)24-19-7-3-5-14-4-1-2-6-18(14)19/h1-9,11,16H,10,12-13H2,(H,24,25)/t16-/m0/s1