1-propanoyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 1-propanoyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 1-propanoyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 1-(1-oxopropyl)-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 1-propanoyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 1-propionyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)C(=O)CC

Isomeric SMILES

CCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)C(=O)CC

InChI

InChI=1S/C25H29NO5/c1-3-13-30-14-15-31-22-8-5-18(6-9-22)19-7-10-23-21(16-19)17-20(25(28)29)11-12-26(23)24(27)4-2/h5-10,16-17H,3-4,11-15H2,1-2H3,(H,28,29)