cyclopentyl-[3-[(4-ethoxycarbonylcyclohexyl)methylcarbamoylamino]-2-oxidanyl-chromen-4-ylidene]azanium

Systemtic Name: cyclopentyl-[3-[(4-ethoxycarbonylcyclohexyl)methylcarbamoylamino]-2-oxidanyl-chromen-4-ylidene]azanium Openeye Name: cyclopentyl-[3-[(4-ethoxycarbonylcyclohexyl)methylcarbamoylamino]-2-hydroxy-chromen-4-ylidene]ammonium CAS Name: cyclopentyl-[3-[[[(4-ethoxycarbonylcyclohexyl)methylamino]-oxomethyl]amino]-2-hydroxy-1-benzopyran-4-ylidene]ammonium IUPAC Name: cyclopentyl-[3-[(4-ethoxycarbonylcyclohexyl)methylcarbamoylamino]-2-hydroxychromen-4-ylidene]azanium Traditional Name: [3-[(4-carbethoxycyclohexyl)methylcarbamoylamino]-2-hydroxy-chromen-4-ylidene]-cyclopentyl-ammonium Formula: C25H34N3O5+ MolecularWeight: 456.55456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CNC(=O)NC2=C(OC3=CC=CC=C3C2=[NH+]C4CCCC4)O

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CNC(=O)NC2=C(OC3=CC=CC=C3C2=[NH+]C4CCCC4)O

InChI

InChI=1S/C25H33N3O5/c1-2-32-23(29)17-13-11-16(12-14-17)15-26-25(31)28-22-21(27-18-7-3-4-8-18)19-9-5-6-10-20(19)33-24(22)30/h5-6,9-10,16-18,30H,2-4,7-8,11-15H2,1H3,(H2,26,28,31)/p+1