ethyl (4S)-2-azanyl-4-(2-butoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-4-(2-butoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-(2-butoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: (4S)-2-amino-4-(2-butoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-(2-butoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: (4S)-2-amino-4-(2-butoxyphenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2C3=C(CCCC3=O)OC(=C2C(=O)OCC)N

Isomeric SMILES

CCCCOC1=CC=CC=C1[C@H]2C3=C(CCCC3=O)OC(=C2C(=O)OCC)N

InChI

InChI=1S/C22H27NO5/c1-3-5-13-27-16-11-7-6-9-14(16)18-19-15(24)10-8-12-17(19)28-21(23)20(18)22(25)26-4-2/h6-7,9,11,18H,3-5,8,10,12-13,23H2,1-2H3/t18-/m0/s1