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

Systemtic Name: 1-methanoyl-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 1-formyl-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 1-formyl-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 1-formyl-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 1-formyl-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)C=O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)C=O

InChI

InChI=1S/C21H21NO4/c1-2-11-26-19-6-3-15(4-7-19)16-5-8-20-18(12-16)13-17(21(24)25)9-10-22(20)14-23/h3-8,12-14H,2,9-11H2,1H3,(H,24,25)