[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butyric acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C22H32N2O6 MolecularWeight: 420.49928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCCCCC1)NC(=O)C2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)N1CCCCCC1)NC(=O)C2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C22H32N2O6/c1-15(2)20(22(27)30-14-19(25)24-9-7-5-6-8-10-24)23-21(26)16-11-17(28-3)13-18(12-16)29-4/h11-13,15,20H,5-10,14H2,1-4H3,(H,23,26)