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

Systemtic Name: O1-tert-butyl O4-methyl 7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-methyl 7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-1,4-dicarboxylate CAS Name: 7-(4-propoxyphenyl)-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-propoxyphenyl)-2,3-dihydro-1-benzazepine-1,4-dicarboxylate Traditional Name: 7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester Formula: C26H31NO5 MolecularWeight: 437.52804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H31NO5/c1-6-15-31-22-10-7-18(8-11-22)19-9-12-23-21(16-19)17-20(24(28)30-5)13-14-27(23)25(29)32-26(2,3)4/h7-12,16-17H,6,13-15H2,1-5H3