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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H29ClN2O5 MolecularWeight: 472.96116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C25H29ClN2O5/c1-14-4-21-19(9-20(14)26)18(8-23(30)33-21)13-32-22(29)2-3-27-24(31)28-25-10-15-5-16(11-25)7-17(6-15)12-25/h4,8-9,15-17H,2-3,5-7,10-13H2,1H3,(H2,27,28,31)