[(2R)-1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] adamantane-2-carboxylate

Systemtic Name: [(2R)-1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] adamantane-2-carboxylate Openeye Name: [(1R)-2-(5-chloro-2-methoxy-anilino)-1-methyl-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [(1R)-2-(5-chloro-2-methoxy-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H26ClNO4 MolecularWeight: 391.88844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C21H26ClNO4/c1-11(20(24)23-17-10-16(22)3-4-18(17)26-2)27-21(25)19-14-6-12-5-13(8-14)9-15(19)7-12/h3-4,10-15,19H,5-9H2,1-2H3,(H,23,24)/t11-,12?,13?,14?,15?,19?/m1/s1