(phenylmethyl) 4-(3-ethoxyphenyl)-7,7-dimethyl-2-methylidene-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 4-(3-ethoxyphenyl)-7,7-dimethyl-2-methylidene-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: benzyl 4-(3-ethoxyphenyl)-7,7-dimethyl-2-methylene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-ethoxyphenyl)-7,7-dimethyl-2-methylene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-ethoxyphenyl)-7,7-dimethyl-2-methylidene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-7,7-dimethyl-2-methylene-4-m-phenetyl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid benzyl ester Formula: C28H31NO4 MolecularWeight: 445.55004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2C(C(=C)NC3=C2C(=O)CC(C3)(C)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC(=C1)C2C(C(=C)NC3=C2C(=O)CC(C3)(C)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H31NO4/c1-5-32-21-13-9-12-20(14-21)25-24(27(31)33-17-19-10-7-6-8-11-19)18(2)29-22-15-28(3,4)16-23(30)26(22)25/h6-14,24-25,29H,2,5,15-17H2,1,3-4H3