tert-butyl 6-chloranyl-7-(ethylcarbamoyl)-8-phenylmethoxy-1-(4-phenylmethoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-3-carboxylate

Systemtic Name: tert-butyl 6-chloranyl-7-(ethylcarbamoyl)-8-phenylmethoxy-1-(4-phenylmethoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-3-carboxylate Openeye Name: tert-butyl 8-benzyloxy-1-(4-benzyloxyphenyl)-6-chloro-7-(ethylcarbamoyl)-2,3,4,5-tetrahydro-1-benzazepine-3-carboxylate CAS Name: 6-chloro-7-(ethylcarbamoyl)-8-phenylmethoxy-1-(4-phenylmethoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-chloro-7-(ethylcarbamoyl)-8-phenylmethoxy-1-(4-phenylmethoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-3-carboxylate Traditional Name: 8-benzoxy-1-(4-benzoxyphenyl)-6-chloro-7-(ethylcarbamoyl)-2,3,4,5-tetrahydro-1-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=C(C=C2C(=C1Cl)CCC(CN2C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC(C)(C)C)OCC5=CC=CC=C5

Isomeric SMILES

CCNC(=O)C1=C(C=C2C(=C1Cl)CCC(CN2C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC(C)(C)C)OCC5=CC=CC=C5

InChI

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