methyl (3S,3aS,7aR)-1-(4-methoxyphenyl)-7-methyl-3-oxidanyl-2-oxidanylidene-3,3a,4,7-tetrahydroindole-7a-carboxylate

Systemtic Name: methyl (3S,3aS,7aR)-1-(4-methoxyphenyl)-7-methyl-3-oxidanyl-2-oxidanylidene-3,3a,4,7-tetrahydroindole-7a-carboxylate Openeye Name: methyl (3S,3aS,7aR)-3-hydroxy-1-(4-methoxyphenyl)-7-methyl-2-oxo-3,3a,4,7-tetrahydroindole-7a-carboxylate CAS Name: (3S,3aS,7aR)-3-hydroxy-1-(4-methoxyphenyl)-7-methyl-2-oxo-3,3a,4,7-tetrahydroindole-7a-carboxylic acid methyl ester IUPAC Name: methyl (3S,3aS,7aR)-3-hydroxy-1-(4-methoxyphenyl)-7-methyl-2-oxo-3,3a,4,7-tetrahydroindole-7a-carboxylate Traditional Name: (3S,3aS,7aR)-3-hydroxy-2-keto-1-(4-methoxyphenyl)-7-methyl-3,3a,4,7-tetrahydroindole-7a-carboxylic acid methyl ester Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CCC2C1(N(C(=O)C2O)C3=CC=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CC1C=CC[C@H]2[C@@]1(N(C(=O)[C@H]2O)C3=CC=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C18H21NO5/c1-11-5-4-6-14-15(20)16(21)19(18(11,14)17(22)24-3)12-7-9-13(23-2)10-8-12/h4-5,7-11,14-15,20H,6H2,1-3H3/t11?,14-,15+,18-/m1/s1