(4R,4aS,7S)-7-(4-methylphenyl)-4-(2-phenylmethoxyphenyl)-1,3,4,4a,6,7-hexahydroquinoline-2,5-dione

Systemtic Name: (4R,4aS,7S)-7-(4-methylphenyl)-4-(2-phenylmethoxyphenyl)-1,3,4,4a,6,7-hexahydroquinoline-2,5-dione Openeye Name: (4R,4aS,7S)-4-(2-benzyloxyphenyl)-7-(p-tolyl)-1,3,4,4a,6,7-hexahydroquinoline-2,5-dione CAS Name: (4R,4aS,7S)-7-(4-methylphenyl)-4-(2-phenylmethoxyphenyl)-1,3,4,4a,6,7-hexahydroquinoline-2,5-dione IUPAC Name: (4R,4aS,7S)-7-(4-methylphenyl)-4-(2-phenylmethoxyphenyl)-1,3,4,4a,6,7-hexahydroquinoline-2,5-dione Traditional Name: (4R,4aS,7S)-4-(2-benzoxyphenyl)-7-(p-tolyl)-1,3,4,4a,6,7-hexahydroquinoline-2,5-quinone Formula: C29H27NO3 MolecularWeight: 437.52958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)C3C(CC(=O)NC3=C2)C4=CC=CC=C4OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2CC(=O)[C@H]3[C@@H](CC(=O)NC3=C2)C4=CC=CC=C4OCC5=CC=CC=C5

InChI

InChI=1S/C29H27NO3/c1-19-11-13-21(14-12-19)22-15-25-29(26(31)16-22)24(17-28(32)30-25)23-9-5-6-10-27(23)33-18-20-7-3-2-4-8-20/h2-15,22,24,29H,16-18H2,1H3,(H,30,32)/t22-,24+,29+/m1/s1