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

Systemtic Name: 3-[5-azanyl-1,3-bis(oxidanylidene)-2H-indol-1-ium-2-yl]-3-(4-cyclohexyloxy-3-ethoxy-phenyl)propanamide Openeye Name: 3-(5-amino-1,3-dioxo-indolin-1-ium-2-yl)-3-[4-(cyclohexoxy)-3-ethoxy-phenyl]propanamide CAS Name: 3-(5-amino-1,3-dioxo-2H-indol-1-ium-2-yl)-3-(4-cyclohexyloxy-3-ethoxyphenyl)propanamide IUPAC Name: 3-(5-amino-1,3-dioxo-2H-indol-1-ium-2-yl)-3-(4-cyclohexyloxy-3-ethoxyphenyl)propanamide Traditional Name: 3-(5-amino-1,3-diketo-indolin-1-ium-2-yl)-3-[4-(cyclohexoxy)-3-ethoxy-phenyl]propionamide Formula: C25H30N3O5+ MolecularWeight: 452.5228

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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)OC4CCCCC4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC(=O)N)C2C(=O)C3=C([N+]2=O)C=CC(=C3)N)OC4CCCCC4

InChI

InChI=1S/C25H29N3O5/c1-2-32-22-12-15(8-11-21(22)33-17-6-4-3-5-7-17)18(14-23(27)29)24-25(30)19-13-16(26)9-10-20(19)28(24)31/h8-13,17-18,24H,2-7,14H2,1H3,(H3-,26,27,29,31)/p+1