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

Systemtic Name: O1-tert-butyl O4-methyl 7-(4-ethoxyphenyl)-2,3-dihydro-1-benzazepine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-methyl 7-(4-ethoxyphenyl)-2,3-dihydro-1-benzazepine-1,4-dicarboxylate CAS Name: 7-(4-ethoxyphenyl)-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-ethoxyphenyl)-2,3-dihydro-1-benzazepine-1,4-dicarboxylate Traditional Name: 7-p-phenetyl-2,3-dihydro-1-benzazepine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO5/c1-6-30-21-10-7-17(8-11-21)18-9-12-22-20(15-18)16-19(23(27)29-5)13-14-26(22)24(28)31-25(2,3)4/h7-12,15-16H,6,13-14H2,1-5H3