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

Systemtic Name: tert-butyl 1-(hydroxymethyl)-7-oxidanyl-1,2,3,4-tetrahydrobenzo[g][1]benzazepine-5-carboxylate Openeye Name: tert-butyl 7-hydroxy-1-(hydroxymethyl)-1,2,3,4-tetrahydrobenzo[g][1]benzazepine-5-carboxylate CAS Name: 7-hydroxy-1-(hydroxymethyl)-1,2,3,4-tetrahydrobenzo[g][1]benzazepine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-hydroxy-1-(hydroxymethyl)-1,2,3,4-tetrahydrobenzo[g][1]benzazepine-5-carboxylate Traditional Name: 7-hydroxy-1-methylol-1,2,3,4-tetrahydrobenzo[g][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)N1CCCC(C2=C1C=C(C3=CC=CC=C32)O)CO

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C2=C1C=C(C3=CC=CC=C32)O)CO

InChI

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