O1-tert-butyl O4-methyl 7-[4-(3-ethoxypropoxy)phenyl]-2,3-dihydro-1-benzazepine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-methyl 7-[4-(3-ethoxypropoxy)phenyl]-2,3-dihydro-1-benzazepine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-methyl 7-[4-(3-ethoxypropoxy)phenyl]-2,3-dihydro-1-benzazepine-1,4-dicarboxylate CAS Name: 7-[4-(3-ethoxypropoxy)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-(3-ethoxypropoxy)phenyl]-2,3-dihydro-1-benzazepine-1,4-dicarboxylate Traditional Name: 7-[4-(3-ethoxypropoxy)phenyl]-2,3-dihydro-1-benzazepine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester Formula: C28H35NO6 MolecularWeight: 481.5806

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CCOCCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H35NO6/c1-6-33-16-7-17-34-24-11-8-20(9-12-24)21-10-13-25-23(18-21)19-22(26(30)32-5)14-15-29(25)27(31)35-28(2,3)4/h8-13,18-19H,6-7,14-17H2,1-5H3