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

Systemtic Name: methyl 7-(3,4-diethoxyphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylate Openeye Name: methyl 7-(3,4-diethoxyphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylate CAS Name: 7-(3,4-diethoxyphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-(3,4-diethoxyphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylate Traditional Name: 7-(3,4-diethoxyphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid methyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4/c1-4-26-20-9-7-16(14-21(20)27-5-2)15-6-8-19-18(12-15)13-17(10-11-23-19)22(24)25-3/h6-9,12-14,23H,4-5,10-11H2,1-3H3