[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenyladamantane-1-carboxylate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 3-phenyladamantane-1-carboxylate CAS Name: 3-phenyl-1-adamantanecarboxylic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenyladamantane-1-carboxylate Traditional Name: 3-phenyladamantane-1-carboxylic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

InChI

InChI=1S/C27H31NO3/c1-18-7-6-8-19(2)24(18)28-23(29)16-31-25(30)27-14-20-11-21(15-27)13-26(12-20,17-27)22-9-4-3-5-10-22/h3-10,20-21H,11-17H2,1-2H3,(H,28,29)