tert-butyl 1-(hydroxymethyl)-7-oxidanyl-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylate

Systemtic Name: tert-butyl 1-(hydroxymethyl)-7-oxidanyl-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylate Openeye Name: tert-butyl 7-hydroxy-1-(hydroxymethyl)-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylate CAS Name: 7-hydroxy-1-(hydroxymethyl)-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-hydroxy-1-(hydroxymethyl)-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylate Traditional Name: 7-hydroxy-1-methylol-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylic acid tert-butyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN(C2=C1C=C(C3=CC=CC=C32)O)CO

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN(C2=C1C=C(C3=CC=CC=C32)O)CO

InChI

InChI=1S/C20H25NO4/c1-20(2,3)25-19(24)15-9-6-10-21(12-22)18-14-8-5-4-7-13(14)17(23)11-16(15)18/h4-5,7-8,11,15,22-23H,6,9-10,12H2,1-3H3