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

Systemtic Name: [1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-methylanilino)-1-oxopropan-2-yl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

InChI

InChI=1S/C23H30N2O4/c1-14-5-4-6-19(7-14)24-20(27)15(2)29-21(28)22-9-17-8-18(10-22)12-23(11-17,13-22)25-16(3)26/h4-7,15,17-18H,8-13H2,1-3H3,(H,24,27)(H,25,26)