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

Systemtic Name: phenethyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-4-(4-methoxyphenyl)-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid phenethyl ester Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO4/c1-18-24(27(31)33-15-14-19-8-6-5-7-9-19)25(20-10-12-21(32-4)13-11-20)26-22(29-18)16-28(2,3)17-23(26)30/h5-13,16,25-26,29H,14-15,17H2,1-4H3