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

Systemtic Name: tert-butyl 1-(hydroxymethyl)-7-phenylmethoxy-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylate Openeye Name: tert-butyl 7-benzyloxy-1-(hydroxymethyl)-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylate CAS Name: 1-(hydroxymethyl)-7-phenylmethoxy-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(hydroxymethyl)-7-phenylmethoxy-2,3,4,5-tetrahydrobenzo[i][1]benzazepine-5-carboxylate Traditional Name: 7-benzoxy-1-methylol-2,3,4,5-tetrahydrobenzo[i][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)C1CCCN(C2=C1C=C(C3=CC=CC=C32)OCC4=CC=CC=C4)CO

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN(C2=C1C=C(C3=CC=CC=C32)OCC4=CC=CC=C4)CO

InChI

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