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

Systemtic Name: (phenylmethyl) 4-(4-ethylphenyl)-7,7-dimethyl-2-methylidene-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: benzyl 4-(4-ethylphenyl)-7,7-dimethyl-2-methylene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(4-ethylphenyl)-7,7-dimethyl-2-methylene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-ethylphenyl)-7,7-dimethyl-2-methylidene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(4-ethylphenyl)-5-keto-7,7-dimethyl-2-methylene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid benzyl ester Formula: C28H31NO3 MolecularWeight: 429.55064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(C(=C)NC3=C2C(=O)CC(C3)(C)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(C(=C)NC3=C2C(=O)CC(C3)(C)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H31NO3/c1-5-19-11-13-21(14-12-19)25-24(27(31)32-17-20-9-7-6-8-10-20)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