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

Systemtic Name: methyl 3-[2-[2-(1-adamantyl)ethanoylamino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[2-(1-adamantyl)-1-oxoethyl]amino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H30N2O4/c1-14-3-4-18(22(28)29-2)8-19(14)25-21(27)13-24-20(26)12-23-9-15-5-16(10-23)7-17(6-15)11-23/h3-4,8,15-17H,5-7,9-13H2,1-2H3,(H,24,26)(H,25,27)