[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (5S,7S)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (5S,7S)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] (5S,7S)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7S)-3-chloro-1-adamantanecarboxylic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (5S,7S)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7S)-3-chloroadamantane-1-carboxylic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H29ClN2O4 MolecularWeight: 384.89756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)Cl

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C12C[C@@H]3C[C@@H](C1)CC(C3)(C2)Cl

InChI

InChI=1S/C19H29ClN2O4/c1-12(2)3-4-21-17(25)22-15(23)10-26-16(24)18-6-13-5-14(7-18)9-19(20,8-13)11-18/h12-14H,3-11H2,1-2H3,(H2,21,22,23,25)/t13-,14-,18?,19?/m0/s1