sodium 4-(11-ethanoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-4-oxidanyl-butanoate

Systemtic Name: sodium 4-(11-ethanoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-4-oxidanyl-butanoate Openeye Name: sodium 4-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-4-hydroxy-butanoate CAS Name: sodium 4-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-4-hydroxybutanoate IUPAC Name: sodium 4-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-4-hydroxybutanoate Traditional Name: sodium 4-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-4-hydroxy-butyrate Formula: C20H20NNaO4 MolecularWeight: 361.36687

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)C(CCC(=O)[O-])O.[Na+]

Isomeric SMILES

CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)C(CCC(=O)[O-])O.[Na+]

InChI

InChI=1S/C20H21NO4.Na/c1-13(22)21-17-5-3-2-4-14(17)6-7-15-8-9-16(12-18(15)21)19(23)10-11-20(24)25;/h2-5,8-9,12,19,23H,6-7,10-11H2,1H3,(H,24,25);/q;+1/p-1