methyl (3aR,7aR)-2-oxidanylidene-1-(phenylmethyl)-3a,4,5,7a-tetrahydro-3H-indole-3-carboxylate

Systemtic Name: methyl (3aR,7aR)-2-oxidanylidene-1-(phenylmethyl)-3a,4,5,7a-tetrahydro-3H-indole-3-carboxylate Openeye Name: methyl (3aR,7aR)-1-benzyl-2-oxo-3a,4,5,7a-tetrahydro-3H-indole-3-carboxylate CAS Name: (3aR,7aR)-2-oxo-1-(phenylmethyl)-3a,4,5,7a-tetrahydro-3H-indole-3-carboxylic acid methyl ester IUPAC Name: methyl (3aR,7aR)-1-benzyl-2-oxo-3a,4,5,7a-tetrahydro-3H-indole-3-carboxylate Traditional Name: (3aR,7aR)-1-benzyl-2-keto-3a,4,5,7a-tetrahydro-3H-indole-3-carboxylic acid methyl ester Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2CCC=CC2N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1[C@H]2CCC=C[C@H]2N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H19NO3/c1-21-17(20)15-13-9-5-6-10-14(13)18(16(15)19)11-12-7-3-2-4-8-12/h2-4,6-8,10,13-15H,5,9,11H2,1H3/t13-,14+,15?/m0/s1