[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 3-methyl-2-(p-anisoylamino)butyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H34N2O5 MolecularWeight: 442.54786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H34N2O5/c1-15(2)22(26-23(29)19-4-6-20(31-3)7-5-19)24(30)32-14-21(28)27-25-11-16-8-17(12-25)10-18(9-16)13-25/h4-7,15-18,22H,8-14H2,1-3H3,(H,26,29)(H,27,28)