phenethyl 4-(3-methoxy-4-phenylmethoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: phenethyl 4-(3-methoxy-4-phenylmethoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl 4-(4-benzyloxy-3-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(3-methoxy-4-phenylmethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(3-methoxy-4-phenylmethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(4-benzoxy-3-methoxy-phenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester Formula: C35H37NO5 MolecularWeight: 551.67198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C35H37NO5/c1-23-31(34(38)40-18-17-24-11-7-5-8-12-24)32(33-27(36-23)20-35(2,3)21-28(33)37)26-15-16-29(30(19-26)39-4)41-22-25-13-9-6-10-14-25/h5-16,19,32,36H,17-18,20-22H2,1-4H3