3-[5-azanyl-1,3-bis(oxidanylidene)-2H-indol-1-ium-2-yl]-3-(4-cyclopentyloxy-3-ethoxy-phenyl)propanamide

Systemtic Name: 3-[5-azanyl-1,3-bis(oxidanylidene)-2H-indol-1-ium-2-yl]-3-(4-cyclopentyloxy-3-ethoxy-phenyl)propanamide Openeye Name: 3-(5-amino-1,3-dioxo-indolin-1-ium-2-yl)-3-[4-(cyclopentoxy)-3-ethoxy-phenyl]propanamide CAS Name: 3-(5-amino-1,3-dioxo-2H-indol-1-ium-2-yl)-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanamide IUPAC Name: 3-(5-amino-1,3-dioxo-2H-indol-1-ium-2-yl)-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanamide Traditional Name: 3-(5-amino-1,3-diketo-indolin-1-ium-2-yl)-3-[4-(cyclopentoxy)-3-ethoxy-phenyl]propionamide Formula: C24H28N3O5+ MolecularWeight: 438.49622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC(=O)N)C2C(=O)C3=C([N+]2=O)C=CC(=C3)N)OC4CCCC4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC(=O)N)C2C(=O)C3=C([N+]2=O)C=CC(=C3)N)OC4CCCC4

InChI

InChI=1S/C24H27N3O5/c1-2-31-21-11-14(7-10-20(21)32-16-5-3-4-6-16)17(13-22(26)28)23-24(29)18-12-15(25)8-9-19(18)27(23)30/h7-12,16-17,23H,2-6,13H2,1H3,(H3-,25,26,28,30)/p+1