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

Systemtic Name: 2-phenoxyethyl (4R)-4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-phenoxyethyl (4R)-4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (4R)-4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-2,7,7-trimethyl-4-o-phenetyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid 2-phenoxyethyl ester Formula: C29H33NO5 MolecularWeight: 475.57602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C3C(=NC(=C2C(=O)OCCOC4=CC=CC=C4)C)CC(CC3=O)(C)C

Isomeric SMILES

CCOC1=CC=CC=C1[C@H]2C3C(=NC(=C2C(=O)OCCOC4=CC=CC=C4)C)CC(CC3=O)(C)C

InChI

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