phenethyl (4R)-4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: phenethyl (4R)-4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl (4R)-4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4R)-4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-2,7,7-trimethyl-4-p-phenetyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester Formula: C29H33NO4 MolecularWeight: 459.57662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C3C(=NC(=C2C(=O)OCCC4=CC=CC=C4)C)CC(CC3=O)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2C3C(=NC(=C2C(=O)OCCC4=CC=CC=C4)C)CC(CC3=O)(C)C

InChI

InChI=1S/C29H33NO4/c1-5-33-22-13-11-21(12-14-22)26-25(28(32)34-16-15-20-9-7-6-8-10-20)19(2)30-23-17-29(3,4)18-24(31)27(23)26/h6-14,26-27H,5,15-18H2,1-4H3/t26-,27?/m1/s1