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

Systemtic Name: (phenylmethyl) 9-chloranyl-7-oxidanyl-8-phenylmethoxy-5-(4-phenylmethoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C38H34ClNO5 MolecularWeight: 620.13326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C2=CC(=C(C(=C21)Cl)OCC3=CC=CC=C3)O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1CN(CC(C2=CC(=C(C(=C21)Cl)OCC3=CC=CC=C3)O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C38H34ClNO5/c39-36-32-20-21-40(38(42)45-26-29-14-8-3-9-15-29)23-34(30-16-18-31(19-17-30)43-24-27-10-4-1-5-11-27)33(32)22-35(41)37(36)44-25-28-12-6-2-7-13-28/h1-19,22,34,41H,20-21,23-26H2