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

Systemtic Name: 2-phenoxyethyl (4R)-4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-phenoxyethyl (4R)-4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (4R)-4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(2-butoxyphenyl)-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid 2-phenoxyethyl ester Formula: C31H37NO5 MolecularWeight: 503.62918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2C3C(=NC(=C2C(=O)OCCOC4=CC=CC=C4)C)CC(CC3=O)(C)C

Isomeric SMILES

CCCCOC1=CC=CC=C1[C@H]2C3C(=NC(=C2C(=O)OCCOC4=CC=CC=C4)C)CC(CC3=O)(C)C

InChI

InChI=1S/C31H37NO5/c1-5-6-16-36-26-15-11-10-14-23(26)28-27(30(34)37-18-17-35-22-12-8-7-9-13-22)21(2)32-24-19-31(3,4)20-25(33)29(24)28/h7-15,28-29H,5-6,16-20H2,1-4H3/t28-,29?/m1/s1