[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 2-[(2-chlorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-3-methyl-butyric acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C22H31ClN2O4 MolecularWeight: 422.94554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1CCCCCCC1)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1CCCCCCC1)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C22H31ClN2O4/c1-15(2)20(25-21(27)17-12-8-9-13-18(17)23)22(28)29-14-19(26)24-16-10-6-4-3-5-7-11-16/h8-9,12-13,15-16,20H,3-7,10-11,14H2,1-2H3,(H,24,26)(H,25,27)