phenethyl 4-(4-ethoxyphenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: phenethyl 4-(4-ethoxyphenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: phenethyl 4-(4-ethoxyphenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(4-ethoxyphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 5-keto-2-methylene-4-p-phenetyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester Formula: C27H29NO4 MolecularWeight: 431.52346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C27H29NO4/c1-3-31-21-14-12-20(13-15-21)25-24(18(2)28-22-10-7-11-23(29)26(22)25)27(30)32-17-16-19-8-5-4-6-9-19/h4-6,8-9,12-15,24-25,28H,2-3,7,10-11,16-17H2,1H3