methyl 3-[[(2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-1-ethoxy-1-oxidanylidene-propan-2-yl]carbamoyl]adamantane-1-carboxylate

Systemtic Name: methyl 3-[[(2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-1-ethoxy-1-oxidanylidene-propan-2-yl]carbamoyl]adamantane-1-carboxylate Openeye Name: methyl 3-[[(1S)-1-[[4-(dimethylcarbamoyloxy)phenyl]methyl]-2-ethoxy-2-oxo-ethyl]carbamoyl]adamantane-1-carboxylate CAS Name: 3-[[[(2S)-3-[4-[dimethylamino(oxo)methoxy]phenyl]-1-ethoxy-1-oxopropan-2-yl]amino]-oxomethyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-1-ethoxy-1-oxopropan-2-yl]carbamoyl]adamantane-1-carboxylate Traditional Name: 3-[[(1S)-1-[4-(dimethylcarbamoyloxy)benzyl]-2-ethoxy-2-keto-ethyl]carbamoyl]adamantane-1-carboxylic acid methyl ester Formula: C27H36N2O7 MolecularWeight: 500.58394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=C(C=C1)OC(=O)N(C)C)NC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)OC

InChI

InChI=1S/C27H36N2O7/c1-5-35-22(30)21(11-17-6-8-20(9-7-17)36-25(33)29(2)3)28-23(31)26-12-18-10-19(13-26)15-27(14-18,16-26)24(32)34-4/h6-9,18-19,21H,5,10-16H2,1-4H3,(H,28,31)/t18?,19?,21-,26?,27?/m0/s1