2-phenoxyethyl (4S)-4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: 2-phenoxyethyl (4S)-4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-phenoxyethyl (4S)-4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (4S)-4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(4-dimethylaminophenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-phenoxyethyl ester Formula: C29H34N2O4 MolecularWeight: 474.59126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCOC3=CC=CC=C3)C4=CC=C(C=C4)N(C)C)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCOC3=CC=CC=C3)C4=CC=C(C=C4)N(C)C)C(=O)CC(C2)(C)C

InChI

InChI=1S/C29H34N2O4/c1-19-25(28(33)35-16-15-34-22-9-7-6-8-10-22)26(20-11-13-21(14-12-20)31(4)5)27-23(30-19)17-29(2,3)18-24(27)32/h6-14,25-26H,15-18H2,1-5H3/t25?,26-/m1/s1