[2-(hexylamino)-2-oxidanylidene-ethyl] (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-propenoic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)acrylic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C18H22ClNO5 MolecularWeight: 367.82398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClNO5/c1-2-3-4-5-8-20-16(21)11-23-17(22)7-6-13-9-14(19)18-15(10-13)24-12-25-18/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,20,21)/b7-6+