methyl 7-(3,4-diethoxyphenyl)-1-methanoyl-2,3-dihydro-1-benzazepine-4-carboxylate

Systemtic Name: methyl 7-(3,4-diethoxyphenyl)-1-methanoyl-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 7-(3,4-diethoxyphenyl)-1-formyl-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-(3,4-diethoxyphenyl)-1-formyl-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-(3,4-diethoxyphenyl)-1-formyl-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 7-(3,4-diethoxyphenyl)-1-formyl-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C23H25NO5 MolecularWeight: 395.4483

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5/c1-4-28-21-9-7-17(14-22(21)29-5-2)16-6-8-20-19(12-16)13-18(23(26)27-3)10-11-24(20)15-25/h6-9,12-15H,4-5,10-11H2,1-3H3