2-[2-[azepan-1-ylcarbonyl(methyl)amino]ethyl-methyl-carbamoyl]oxy-3-phenyl-propanoate

Systemtic Name: 2-[2-[azepan-1-ylcarbonyl(methyl)amino]ethyl-methyl-carbamoyl]oxy-3-phenyl-propanoate Openeye Name: 2-[2-[azepane-1-carbonyl(methyl)amino]ethyl-methyl-carbamoyl]oxy-3-phenyl-propanoate CAS Name: 2-[[2-[[1-azepanyl(oxo)methyl]-methylamino]ethyl-methylamino]-oxomethoxy]-3-phenylpropanoate IUPAC Name: 2-[2-[azepane-1-carbonyl(methyl)amino]ethyl-methylcarbamoyl]oxy-3-phenylpropanoate Traditional Name: 2-[2-[azepane-1-carbonyl(methyl)amino]ethyl-methyl-carbamoyl]oxy-3-phenyl-propionate Formula: C21H30N3O5- MolecularWeight: 404.48

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN(C)C(=O)OC(CC1=CC=CC=C1)C(=O)[O-])C(=O)N2CCCCCC2

Isomeric SMILES

CN(CCN(C)C(=O)OC(CC1=CC=CC=C1)C(=O)[O-])C(=O)N2CCCCCC2

InChI

InChI=1S/C21H31N3O5/c1-22(20(27)24-12-8-3-4-9-13-24)14-15-23(2)21(28)29-18(19(25)26)16-17-10-6-5-7-11-17/h5-7,10-11,18H,3-4,8-9,12-16H2,1-2H3,(H,25,26)/p-1