(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C26H32N2O5/c1-15-5-21-20(10-24(30)33-22(21)6-16(15)2)14-32-23(29)3-4-27-25(31)28-26-11-17-7-18(12-26)9-19(8-17)13-26/h5-6,10,17-19H,3-4,7-9,11-14H2,1-2H3,(H2,27,28,31)