[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxo-ethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-1-adamantanecarboxylic acid [2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate Traditional Name: 3-(3,4-dimethylphenyl)adamantane-1-carboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-keto-ethyl] ester Formula: C30H34N2O6 MolecularWeight: 518.60076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC(=O)NC5=CC6=C(C=C5)OCCO6)C

Isomeric SMILES

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC(=O)NC5=CC6=C(C=C5)OCCO6)C

InChI

InChI=1S/C30H34N2O6/c1-18-3-4-22(9-19(18)2)29-12-20-10-21(13-29)15-30(14-20,17-29)27(34)38-16-26(33)32-28(35)31-23-5-6-24-25(11-23)37-8-7-36-24/h3-6,9,11,20-21H,7-8,10,12-17H2,1-2H3,(H2,31,32,33,35)