(phenylmethyl) 4-(furan-2-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 4-(furan-2-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: benzyl 4-(2-furyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(2-furanyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(furan-2-yl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(2-furyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid benzyl ester Formula: C24H25NO4 MolecularWeight: 391.4596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=CO3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=CO3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H25NO4/c1-15-20(23(27)29-14-16-8-5-4-6-9-16)22(19-10-7-11-28-19)21-17(25-15)12-24(2,3)13-18(21)26/h4-12,21-22,25H,13-14H2,1-3H3