methyl 4-[4-[3-(4-aminocarbonylcyclohexyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]butanoate

Systemtic Name: methyl 4-[4-[3-(4-aminocarbonylcyclohexyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]butanoate Openeye Name: methyl 4-[4-[3-(4-carbamoylcyclohexyl)-2-oxo-imidazolidin-1-yl]phenyl]butanoate CAS Name: 4-[4-[3-(4-carbamoylcyclohexyl)-2-oxo-1-imidazolidinyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[3-(4-carbamoylcyclohexyl)-2-oxoimidazolidin-1-yl]phenyl]butanoate Traditional Name: 4-[4-[3-(4-carbamoylcyclohexyl)-2-keto-imidazolidin-1-yl]phenyl]butyric acid methyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)N2CCN(C2=O)C3CCC(CC3)C(=O)N

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)N2CCN(C2=O)C3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H29N3O4/c1-28-19(25)4-2-3-15-5-9-17(10-6-15)23-13-14-24(21(23)27)18-11-7-16(8-12-18)20(22)26/h5-6,9-10,16,18H,2-4,7-8,11-14H2,1H3,(H2,22,26)