[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-[(2-chlorophenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-[(2-chlorophenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenyl-propanoate CAS Name: 3-[[(2-chlorophenyl)-oxomethyl]amino]-3-phenylpropanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate Traditional Name: 3-[(2-chlorobenzoyl)amino]-3-phenyl-propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C28H31ClN2O4 MolecularWeight: 495.00974

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CC(C4=CC=CC=C4)NC(=O)C5=CC=CC=C5Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CC(C4=CC=CC=C4)NC(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C28H31ClN2O4/c29-23-9-5-4-8-22(23)27(34)30-24(21-6-2-1-3-7-21)13-26(33)35-17-25(32)31-28-14-18-10-19(15-28)12-20(11-18)16-28/h1-9,18-20,24H,10-17H2,(H,30,34)(H,31,32)