[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)carbonylbenzoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)carbonylbenzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2-(3,4-dimethylbenzoyl)benzoate CAS Name: 2-[(3,4-dimethylphenyl)-oxomethyl]benzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylbenzoyl)benzoate Traditional Name: 2-(3,4-dimethylbenzoyl)benzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C29H32N2O5 MolecularWeight: 488.57478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C29H32N2O5/c1-17-7-8-22(9-18(17)2)26(33)23-5-3-4-6-24(23)27(34)36-16-25(32)30-28(35)31-29-13-19-10-20(14-29)12-21(11-19)15-29/h3-9,19-21H,10-16H2,1-2H3,(H2,30,31,32,35)