methyl 4-[[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]amino]benzoate

Systemtic Name: methyl 4-[[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]amino]benzoate Openeye Name: methyl 4-[[(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl]amino]benzoate CAS Name: 4-[[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]amino]benzoate Traditional Name: 4-[[(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl]amino]benzoic acid methyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H28N2O3/c1-13(22-18-5-3-17(4-6-18)20(25)26-2)19(24)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,13-16,22H,7-12H2,1-2H3,(H,23,24)/t13-,14?,15?,16?,21?/m1/s1