methyl (3R,3aR,7aR)-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-3a,6,7,7a-tetrahydro-3H-indole-3-carboxylate

Systemtic Name: methyl (3R,3aR,7aR)-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-3a,6,7,7a-tetrahydro-3H-indole-3-carboxylate Openeye Name: methyl (3R,3aR,7aR)-1-[(4-methoxyphenyl)methyl]-2-oxo-3a,6,7,7a-tetrahydro-3H-indole-3-carboxylate CAS Name: (3R,3aR,7aR)-1-[(4-methoxyphenyl)methyl]-2-oxo-3a,6,7,7a-tetrahydro-3H-indole-3-carboxylic acid methyl ester IUPAC Name: methyl (3R,3aR,7aR)-1-[(4-methoxyphenyl)methyl]-2-oxo-3a,6,7,7a-tetrahydro-3H-indole-3-carboxylate Traditional Name: (3R,3aR,7aR)-2-keto-1-p-anisyl-3a,6,7,7a-tetrahydro-3H-indole-3-carboxylic acid methyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3CCC=CC3C(C2=O)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2[C@@H]3CCC=C[C@@H]3[C@H](C2=O)C(=O)OC

InChI

InChI=1S/C18H21NO4/c1-22-13-9-7-12(8-10-13)11-19-15-6-4-3-5-14(15)16(17(19)20)18(21)23-2/h3,5,7-10,14-16H,4,6,11H2,1-2H3/t14-,15+,16+/m0/s1