methyl (2S,5S)-5-ethenyl-5-methyl-4-oxidanylidene-1,2,3,6-tetrahydroazepino[4,5-b]indole-2-carboxylate

Systemtic Name: methyl (2S,5S)-5-ethenyl-5-methyl-4-oxidanylidene-1,2,3,6-tetrahydroazepino[4,5-b]indole-2-carboxylate Openeye Name: methyl (2S,5S)-5-methyl-4-oxo-5-vinyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-2-carboxylate CAS Name: (2S,5S)-5-ethenyl-5-methyl-4-oxo-1,2,3,6-tetrahydroazepino[4,5-b]indole-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,5S)-5-ethenyl-5-methyl-4-oxo-1,2,3,6-tetrahydroazepino[4,5-b]indole-2-carboxylate Traditional Name: (2S,5S)-4-keto-5-methyl-5-vinyl-1,2,3,6-tetrahydroazepin[4,5-b]indole-2-carboxylic acid methyl ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(CC(NC1=O)C(=O)OC)C3=CC=CC=C3N2)C=C

Isomeric SMILES

C[C@@]1(C2=C(C[C@H](NC1=O)C(=O)OC)C3=CC=CC=C3N2)C=C

InChI

InChI=1S/C17H18N2O3/c1-4-17(2)14-11(10-7-5-6-8-12(10)18-14)9-13(15(20)22-3)19-16(17)21/h4-8,13,18H,1,9H2,2-3H3,(H,19,21)/t13-,17-/m0/s1