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

Systemtic Name: 2-methoxyethyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(3-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-methoxyethyl (4S)-4-(3-benzyloxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-(3-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S)-2,7,7-trimethyl-5-oxo-4-(3-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(3-benzoxyphenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-methoxyethyl ester Formula: C29H33NO5 MolecularWeight: 475.57602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCOC)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCOC)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)CC(C2)(C)C

InChI

InChI=1S/C29H33NO5/c1-19-25(28(32)34-14-13-33-4)26(27-23(30-19)16-29(2,3)17-24(27)31)21-11-8-12-22(15-21)35-18-20-9-6-5-7-10-20/h5-12,15,25-26H,13-14,16-18H2,1-4H3/t25?,26-/m1/s1