[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxo-ethyl] 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-keto-ethyl] ester Formula: C26H23NO6 MolecularWeight: 445.46392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC(C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC(C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H23NO6/c1-16-7-9-18(10-8-16)25(29)20-5-3-4-6-21(20)26(30)31-14-24(28)27-17(2)19-11-12-22-23(13-19)33-15-32-22/h3-13,17H,14-15H2,1-2H3,(H,27,28)