[4-[(2S)-2-(1,3-benzodioxol-5-ylcarbonylamino)-3-methoxy-3-oxidanylidene-propyl]phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [4-[(2S)-2-(1,3-benzodioxol-5-ylcarbonylamino)-3-methoxy-3-oxidanylidene-propyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-[(2S)-2-(1,3-benzodioxole-5-carbonylamino)-3-methoxy-3-oxo-propyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-[(2S)-2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-methoxy-3-oxopropyl]phenyl] ester IUPAC Name: [4-[(2S)-2-(1,3-benzodioxole-5-carbonylamino)-3-methoxy-3-oxopropyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-[(2S)-3-keto-3-methoxy-2-(piperonyloylamino)propyl]phenyl] ester Formula: C26H21NO9 MolecularWeight: 491.44624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21NO9/c1-31-26(30)19(27-24(28)16-4-8-20-22(11-16)34-13-32-20)10-15-2-6-18(7-3-15)36-25(29)17-5-9-21-23(12-17)35-14-33-21/h2-9,11-12,19H,10,13-14H2,1H3,(H,27,28)/t19-/m0/s1