(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C26H32N2O5/c1-15-3-4-21-20(10-23(30)33-24(21)16(15)2)14-32-22(29)5-6-27-25(31)28-26-11-17-7-18(12-26)9-19(8-17)13-26/h3-4,10,17-19H,5-9,11-14H2,1-2H3,(H2,27,28,31)