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

Systemtic Name: methyl 7-(4-ethoxyphenyl)-1-methanoyl-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 7-(4-ethoxyphenyl)-1-formyl-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-(4-ethoxyphenyl)-1-formyl-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-(4-ethoxyphenyl)-1-formyl-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 1-formyl-7-p-phenetyl-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4/c1-3-26-19-7-4-15(5-8-19)16-6-9-20-18(12-16)13-17(21(24)25-2)10-11-22(20)14-23/h4-9,12-14H,3,10-11H2,1-2H3