tert-butyl 9-chloranyl-7-oxidanyl-8-phenylmethoxy-5-(4-phenylmethoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Systemtic Name: tert-butyl 9-chloranyl-7-oxidanyl-8-phenylmethoxy-5-(4-phenylmethoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Openeye Name: tert-butyl 8-benzyloxy-5-(4-benzyloxyphenyl)-9-chloro-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate CAS Name: 9-chloro-7-hydroxy-8-phenylmethoxy-5-(4-phenylmethoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 9-chloro-7-hydroxy-8-phenylmethoxy-5-(4-phenylmethoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Traditional Name: 8-benzoxy-5-(4-benzoxyphenyl)-9-chloro-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester Formula: C35H36ClNO5 MolecularWeight: 586.11704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C(=C(C=C2C(C1)C3=CC=C(C=C3)OCC4=CC=CC=C4)O)OCC5=CC=CC=C5)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C(=C(C=C2C(C1)C3=CC=C(C=C3)OCC4=CC=CC=C4)O)OCC5=CC=CC=C5)Cl

InChI

InChI=1S/C35H36ClNO5/c1-35(2,3)42-34(39)37-19-18-28-29(20-31(38)33(32(28)36)41-23-25-12-8-5-9-13-25)30(21-37)26-14-16-27(17-15-26)40-22-24-10-6-4-7-11-24/h4-17,20,30,38H,18-19,21-23H2,1-3H3