methyl (2S,3aR,7S,7aS)-6-oxidanylidene-1-[(E)-3-phenylprop-2-enyl]-7-prop-2-ynyl-3,3a,7,7a-tetrahydro-2H-indole-2-carboxylate

Systemtic Name: methyl (2S,3aR,7S,7aS)-6-oxidanylidene-1-[(E)-3-phenylprop-2-enyl]-7-prop-2-ynyl-3,3a,7,7a-tetrahydro-2H-indole-2-carboxylate Openeye Name: methyl (2S,3aR,7S,7aS)-1-[(E)-cinnamyl]-6-oxo-7-prop-2-ynyl-3,3a,7,7a-tetrahydro-2H-indole-2-carboxylate CAS Name: (2S,3aR,7S,7aS)-6-oxo-1-[(E)-3-phenylprop-2-enyl]-7-prop-2-ynyl-3,3a,7,7a-tetrahydro-2H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,3aR,7S,7aS)-6-oxo-1-[(E)-3-phenylprop-2-enyl]-7-prop-2-ynyl-3,3a,7,7a-tetrahydro-2H-indole-2-carboxylate Traditional Name: (2S,3aR,7S,7aS)-1-[(E)-cinnamyl]-6-keto-7-propargyl-3,3a,7,7a-tetrahydro-2H-indole-2-carboxylic acid methyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2C=CC(=O)C(C2N1CC=CC3=CC=CC=C3)CC#C

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H]2C=CC(=O)[C@H]([C@H]2N1C/C=C/C3=CC=CC=C3)CC#C

InChI

InChI=1S/C22H23NO3/c1-3-8-18-20(24)13-12-17-15-19(22(25)26-2)23(21(17)18)14-7-11-16-9-5-4-6-10-16/h1,4-7,9-13,17-19,21H,8,14-15H2,2H3/b11-7+/t17-,18+,19-,21-/m0/s1