(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H30N2O5/c1-15-2-3-20-19(10-23(29)32-21(20)6-15)14-31-22(28)4-5-26-24(30)27-25-11-16-7-17(12-25)9-18(8-16)13-25/h2-3,6,10,16-18H,4-5,7-9,11-14H2,1H3,(H2,26,27,30)