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

Systemtic Name: tert-butyl 9-chloranyl-7-(ethylcarbamoyl)-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-(ethylcarbamoyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate CAS Name: 9-chloro-7-(ethylcarbamoyl)-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-(ethylcarbamoyl)-8-phenylmethoxy-5-(4-phenylmethoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Traditional Name: 8-benzoxy-5-(4-benzoxyphenyl)-9-chloro-7-(ethylcarbamoyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester Formula: C38H41ClN2O5 MolecularWeight: 641.19554

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC2=C(CCN(CC2C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC(C)(C)C)C(=C1OCC5=CC=CC=C5)Cl

Isomeric SMILES

CCNC(=O)C1=CC2=C(CCN(CC2C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC(C)(C)C)C(=C1OCC5=CC=CC=C5)Cl

InChI

InChI=1S/C38H41ClN2O5/c1-5-40-36(42)32-22-31-30(34(39)35(32)45-25-27-14-10-7-11-15-27)20-21-41(37(43)46-38(2,3)4)23-33(31)28-16-18-29(19-17-28)44-24-26-12-8-6-9-13-26/h6-19,22,33H,5,20-21,23-25H2,1-4H3,(H,40,42)