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

Systemtic Name: O1-tert-butyl O4-methyl 7-(3,4-diethoxyphenyl)-2,3-dihydro-1-benzazepine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-methyl 7-(3,4-diethoxyphenyl)-2,3-dihydro-1-benzazepine-1,4-dicarboxylate CAS Name: 7-(3,4-diethoxyphenyl)-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-(3,4-diethoxyphenyl)-2,3-dihydro-1-benzazepine-1,4-dicarboxylate Traditional Name: 7-(3,4-diethoxyphenyl)-2,3-dihydro-1-benzazepine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester Formula: C27H33NO6 MolecularWeight: 467.55402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)C(=O)OC(C)(C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)C(=O)OC(C)(C)C)OCC

InChI

InChI=1S/C27H33NO6/c1-7-32-23-12-10-19(17-24(23)33-8-2)18-9-11-22-21(15-18)16-20(25(29)31-6)13-14-28(22)26(30)34-27(3,4)5/h9-12,15-17H,7-8,13-14H2,1-6H3