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

Systemtic Name: tert-butyl 1-(hydroxymethyl)-7-phenylmethoxy-1,2,3,4-tetrahydrobenzo[g][1]benzazepine-5-carboxylate Openeye Name: tert-butyl 7-benzyloxy-1-(hydroxymethyl)-1,2,3,4-tetrahydrobenzo[g][1]benzazepine-5-carboxylate CAS Name: 1-(hydroxymethyl)-7-phenylmethoxy-1,2,3,4-tetrahydrobenzo[g][1]benzazepine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(hydroxymethyl)-7-phenylmethoxy-1,2,3,4-tetrahydrobenzo[g][1]benzazepine-5-carboxylate Traditional Name: 7-benzoxy-1-methylol-1,2,3,4-tetrahydrobenzo[g][1]benzazepine-5-carboxylic acid tert-butyl ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C2=C1C=C(C3=CC=CC=C32)OCC4=CC=CC=C4)CO

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C2=C1C=C(C3=CC=CC=C32)OCC4=CC=CC=C4)CO

InChI

InChI=1S/C27H31NO4/c1-27(2,3)32-26(30)28-15-9-12-20(17-29)25-22-14-8-7-13-21(22)24(16-23(25)28)31-18-19-10-5-4-6-11-19/h4-8,10-11,13-14,16,20,29H,9,12,15,17-18H2,1-3H3