methyl 7-[[(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]heptanoate

Systemtic Name: methyl 7-[[(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]heptanoate Openeye Name: methyl 7-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]heptanoate CAS Name: 7-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]heptanoate Traditional Name: 7-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)acryloyl]amino]enanthic acid methyl ester Formula: C18H22ClNO5 MolecularWeight: 367.82398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C=CC1=CC2=C(C(=C1)Cl)OCO2

Isomeric SMILES

COC(=O)CCCCCCNC(=O)/C=C/C1=CC2=C(C(=C1)Cl)OCO2

InChI

InChI=1S/C18H22ClNO5/c1-23-17(22)6-4-2-3-5-9-20-16(21)8-7-13-10-14(19)18-15(11-13)24-12-25-18/h7-8,10-11H,2-6,9,12H2,1H3,(H,20,21)/b8-7+