[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31N3O4/c1-15-23(19-4-2-3-5-20(19)27-15)21(29)14-32-22(30)6-7-26-24(31)28-25-11-16-8-17(12-25)10-18(9-16)13-25/h2-5,16-18,27H,6-14H2,1H3,(H2,26,28,31)