[(5S)-11-aminocarbonyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] 2-ethylhexanoate

Systemtic Name: [(5S)-11-aminocarbonyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] 2-ethylhexanoate Openeye Name: [(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] ester IUPAC Name: [(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] ester Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N

Isomeric SMILES

CCCCC(CC)C(=O)O[C@H]1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N

InChI

InChI=1S/C23H28N2O3/c1-3-5-10-16(4-2)22(26)28-21-15-17-11-6-8-13-19(17)25(23(24)27)20-14-9-7-12-18(20)21/h6-9,11-14,16,21H,3-5,10,15H2,1-2H3,(H2,24,27)/t16?,21-/m0/s1