7-(3,4-diethoxyphenyl)-1-methanoyl-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 7-(3,4-diethoxyphenyl)-1-methanoyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-(3,4-diethoxyphenyl)-1-formyl-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-(3,4-diethoxyphenyl)-1-formyl-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-(3,4-diethoxyphenyl)-1-formyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-(3,4-diethoxyphenyl)-1-formyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C22H23NO5 MolecularWeight: 381.42172

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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)O)C=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5/c1-3-27-20-8-6-16(13-21(20)28-4-2)15-5-7-19-18(11-15)12-17(22(25)26)9-10-23(19)14-24/h5-8,11-14H,3-4,9-10H2,1-2H3,(H,25,26)