(3-methylquinoxalin-2-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30N4O3/c1-15-21(27-20-5-3-2-4-19(20)26-15)14-31-22(29)6-7-25-23(30)28-24-11-16-8-17(12-24)10-18(9-16)13-24/h2-5,16-18H,6-14H2,1H3,(H2,25,28,30)