[2-[(4-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-[(4-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-[(4-methoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-keto-2-[methyl(p-anisyl)amino]ethyl] ester Formula: C25H35N3O5 MolecularWeight: 457.5625

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OC)C(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)OC)C(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H35N3O5/c1-28(15-17-3-5-21(32-2)6-4-17)22(29)16-33-23(30)7-8-26-24(31)27-25-12-18-9-19(13-25)11-20(10-18)14-25/h3-6,18-20H,7-16H2,1-2H3,(H2,26,27,31)