(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C27H33NO5 MolecularWeight: 451.55462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)C(C)C

InChI

InChI=1S/C27H33NO5/c1-15(2)21-9-22-20(8-24(29)33-23(22)4-16(21)3)14-32-25(30)13-28-26(31)27-10-17-5-18(11-27)7-19(6-17)12-27/h4,8-9,15,17-19H,5-7,10-14H2,1-3H3,(H,28,31)