[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-phenethylbenzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-phenethylbenzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C24H21NO5 MolecularWeight: 403.42724

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3CCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3CCC4=CC=CC=C4

InChI

InChI=1S/C24H21NO5/c26-23(25-19-12-13-21-22(14-19)30-16-29-21)15-28-24(27)20-9-5-4-8-18(20)11-10-17-6-2-1-3-7-17/h1-9,12-14H,10-11,15-16H2,(H,25,26)