methyl 3-[2-(1-adamantylamino)ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(1-adamantylamino)ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(1-adamantylamino)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(1-adamantylamino)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1-adamantylamino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(1-adamantylamino)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CNC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CNC23CC4CC(C2)CC(C4)C3

InChI

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