methyl (3aR,6R,7aS)-6-phenylazanyl-3,6,7,7a-tetrahydroindene-3a-carboxylate

Systemtic Name: methyl (3aR,6R,7aS)-6-phenylazanyl-3,6,7,7a-tetrahydroindene-3a-carboxylate Openeye Name: methyl (3aR,6R,7aS)-6-anilino-3,6,7,7a-tetrahydroindene-3a-carboxylate CAS Name: (3aR,6R,7aS)-6-anilino-3,6,7,7a-tetrahydroindene-3a-carboxylic acid methyl ester IUPAC Name: methyl (3aR,6R,7aS)-6-anilino-3,6,7,7a-tetrahydroindene-3a-carboxylate Traditional Name: (3aR,6R,7aS)-6-anilino-3,6,7,7a-tetrahydroindene-3a-carboxylic acid methyl ester Formula: C17H19NO2 MolecularWeight: 269.33826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC=CC1CC(C=C2)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@]12CC=C[C@@H]1C[C@H](C=C2)NC3=CC=CC=C3

InChI

InChI=1S/C17H19NO2/c1-20-16(19)17-10-5-6-13(17)12-15(9-11-17)18-14-7-3-2-4-8-14/h2-9,11,13,15,18H,10,12H2,1H3/t13-,15+,17-/m1/s1