methyl 3-[3-(1-adamantylcarbonylamino)propanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[3-(1-adamantylcarbonylamino)propanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[3-(adamantane-1-carbonylamino)propanoylamino]-4-methyl-benzoate CAS Name: 3-[[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-(adamantane-1-carbonylamino)propanoylamino]-4-methylbenzoate Traditional Name: 3-[3-(adamantane-1-carbonylamino)propanoylamino]-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)CCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

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