ethyl 6-[2-[azanyl(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-chloranyl-phenyl]-6-oxidanylidene-hexanoate

Systemtic Name: ethyl 6-[2-[azanyl(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-chloranyl-phenyl]-6-oxidanylidene-hexanoate Openeye Name: ethyl 6-[2-[amino(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-chloro-phenyl]-6-oxo-hexanoate CAS Name: 6-[2-[[amino(1,3-benzodioxol-5-ylmethyl)amino]-oxomethyl]-4-chlorophenyl]-6-oxohexanoic acid ethyl ester IUPAC Name: ethyl 6-[2-[amino(1,3-benzodioxol-5-ylmethyl)carbamoyl]-4-chlorophenyl]-6-oxohexanoate Traditional Name: 6-[2-[amino(piperonyl)carbamoyl]-4-chloro-phenyl]-6-keto-hexanoic acid ethyl ester Formula: C23H25ClN2O6 MolecularWeight: 460.9074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(=O)C1=C(C=C(C=C1)Cl)C(=O)N(CC2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

CCOC(=O)CCCCC(=O)C1=C(C=C(C=C1)Cl)C(=O)N(CC2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C23H25ClN2O6/c1-2-30-22(28)6-4-3-5-19(27)17-9-8-16(24)12-18(17)23(29)26(25)13-15-7-10-20-21(11-15)32-14-31-20/h7-12H,2-6,13-14,25H2,1H3