N-[2-[1,3-benzodioxol-5-ylmethyl-[(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-butyl-2-methyl-propanamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-butyl-2-methyl-propanamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(6-chloro-4-oxo-chromen-3-yl)methyl]amino]-2-oxo-ethyl]-N-butyl-2-methyl-propanamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(6-chloro-4-oxo-1-benzopyran-3-yl)methyl]amino]-2-oxoethyl]-N-butyl-2-methylpropanamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(6-chloro-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-butyl-2-methylpropanamide Traditional Name: N-butyl-N-[2-[(6-chloro-4-keto-chromen-3-yl)methyl-piperonyl-amino]-2-keto-ethyl]-2-methyl-propionamide Formula: C28H31ClN2O6 MolecularWeight: 527.00854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)C(C)C

Isomeric SMILES

CCCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)C(C)C

InChI

InChI=1S/C28H31ClN2O6/c1-4-5-10-30(28(34)18(2)3)15-26(32)31(13-19-6-8-24-25(11-19)37-17-36-24)14-20-16-35-23-9-7-21(29)12-22(23)27(20)33/h6-9,11-12,16,18H,4-5,10,13-15,17H2,1-3H3