phenethyl 2,7,7-trimethyl-5-oxidanylidene-4-phenyl-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: phenethyl 2,7,7-trimethyl-5-oxidanylidene-4-phenyl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C27H29NO3 MolecularWeight: 415.52406

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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)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=CC=C3)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C27H29NO3/c1-18-23(26(30)31-15-14-19-10-6-4-7-11-19)24(20-12-8-5-9-13-20)25-21(28-18)16-27(2,3)17-22(25)29/h4-13,16,24-25,28H,14-15,17H2,1-3H3