[1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(dibenzylamino)-1-methyl-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [1-[bis(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(dibenzylamino)-1-oxopropan-2-yl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-(dibenzylamino)-2-keto-1-methyl-ethyl] ester Formula: C30H36N2O4 MolecularWeight: 488.61784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

Isomeric SMILES

CC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

InChI

InChI=1S/C30H36N2O4/c1-21(27(34)32(18-23-9-5-3-6-10-23)19-24-11-7-4-8-12-24)36-28(35)29-14-25-13-26(15-29)17-30(16-25,20-29)31-22(2)33/h3-12,21,25-26H,13-20H2,1-2H3,(H,31,33)