pentyl (4S)-4-(3-methoxy-4-phenylmethoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: pentyl (4S)-4-(3-methoxy-4-phenylmethoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: pentyl (4S)-4-(4-benzyloxy-3-methoxy-phenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-4-(3-methoxy-4-phenylmethoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S)-4-(3-methoxy-4-phenylmethoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-4-(4-benzoxy-3-methoxy-phenyl)-5-keto-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid amyl ester Formula: C29H33NO5 MolecularWeight: 475.57602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1C=NC2=C(C1C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)CCC2

Isomeric SMILES

CCCCCOC(=O)C1C=NC2=C([C@@H]1C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)CCC2

InChI

InChI=1S/C29H33NO5/c1-3-4-8-16-34-29(32)22-18-30-23-12-9-13-24(31)28(23)27(22)21-14-15-25(26(17-21)33-2)35-19-20-10-6-5-7-11-20/h5-7,10-11,14-15,17-18,22,27H,3-4,8-9,12-13,16,19H2,1-2H3/t22?,27-/m1/s1