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

Systemtic Name: phenethyl (4R)-4-(3-ethoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl (4R)-4-(3-ethoxy-4-hydroxy-phenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4R)-4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(3-ethoxy-4-hydroxy-phenyl)-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester Formula: C29H33NO5 MolecularWeight: 475.57602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33NO5/c1-5-34-24-15-20(11-12-22(24)31)26-25(28(33)35-14-13-19-9-7-6-8-10-19)18(2)30-21-16-29(3,4)17-23(32)27(21)26/h6-12,15,26-27,31H,5,13-14,16-17H2,1-4H3/t26-,27?/m1/s1