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

Systemtic Name: (phenylmethyl) 2,7,7-trimethyl-5-oxidanylidene-4-phenyl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: benzyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-phenyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid benzyl ester Formula: C26H27NO3 MolecularWeight: 401.49748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO3/c1-17-22(25(29)30-16-18-10-6-4-7-11-18)23(19-12-8-5-9-13-19)24-20(27-17)14-26(2,3)15-21(24)28/h4-14,23-24,27H,15-16H2,1-3H3