(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C28H30N2O5 MolecularWeight: 474.5482

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

InChI

InChI=1S/C28H30N2O5/c31-24(7-8-29-27(33)30-28-13-17-9-18(14-28)11-19(10-17)15-28)34-16-21-12-25(32)35-23-6-5-20-3-1-2-4-22(20)26(21)23/h1-6,12,17-19H,7-11,13-16H2,(H2,29,30,33)