methyl 4-[4-(1-adamantylcarbamoylamino)phenyl]butanoate

Systemtic Name: methyl 4-[4-(1-adamantylcarbamoylamino)phenyl]butanoate Openeye Name: methyl 4-[4-(1-adamantylcarbamoylamino)phenyl]butanoate CAS Name: 4-[4-[[(1-adamantylamino)-oxomethyl]amino]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(1-adamantylcarbamoylamino)phenyl]butanoate Traditional Name: 4-[4-(1-adamantylcarbamoylamino)phenyl]butyric acid methyl ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O3/c1-27-20(25)4-2-3-15-5-7-19(8-6-15)23-21(26)24-22-12-16-9-17(13-22)11-18(10-16)14-22/h5-8,16-18H,2-4,9-14H2,1H3,(H2,23,24,26)