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

Systemtic Name: 2-phenoxyethyl (4R)-2,7,7-trimethyl-4-(3-methylphenyl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-phenoxyethyl (4R)-2,7,7-trimethyl-4-(m-tolyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (4R)-2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-2,7,7-trimethyl-4-(m-tolyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid 2-phenoxyethyl ester Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C3C(=NC(=C2C(=O)OCCOC4=CC=CC=C4)C)CC(CC3=O)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)[C@H]2C3C(=NC(=C2C(=O)OCCOC4=CC=CC=C4)C)CC(CC3=O)(C)C

InChI

InChI=1S/C28H31NO4/c1-18-9-8-10-20(15-18)25-24(27(31)33-14-13-32-21-11-6-5-7-12-21)19(2)29-22-16-28(3,4)17-23(30)26(22)25/h5-12,15,25-26H,13-14,16-17H2,1-4H3/t25-,26?/m1/s1