O1-tert-butyl O4-methyl 7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1-benzazepine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-methyl 7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1-benzazepine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-methyl 7-(4-morpholinophenyl)-2,3-dihydro-1-benzazepine-1,4-dicarboxylate CAS Name: 7-[4-(4-morpholinyl)phenyl]-2,3-dihydro-1-benzazepine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester IUPAC Name: 1-O-tert-butyl 4-O-methyl 7-(4-morpholin-4-ylphenyl)-2,3-dihydro-1-benzazepine-1,4-dicarboxylate Traditional Name: 7-(4-morpholinophenyl)-2,3-dihydro-1-benzazepine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=CC2=C1C=CC(=C2)C3=CC=C(C=C3)N4CCOCC4)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=CC2=C1C=CC(=C2)C3=CC=C(C=C3)N4CCOCC4)C(=O)OC

InChI

InChI=1S/C27H32N2O5/c1-27(2,3)34-26(31)29-12-11-21(25(30)32-4)18-22-17-20(7-10-24(22)29)19-5-8-23(9-6-19)28-13-15-33-16-14-28/h5-10,17-18H,11-16H2,1-4H3