[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl] 2-methylbutanoate

Systemtic Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl] 2-methylbutanoate Openeye Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] ester IUPAC Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl] ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31

Isomeric SMILES

CCC(C)C(=O)OCC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31

InChI

InChI=1S/C21H23NO3/c1-3-15(2)21(24)25-14-20(23)22-18-10-6-4-8-16(18)12-13-17-9-5-7-11-19(17)22/h4-11,15H,3,12-14H2,1-2H3