[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-butoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-butoxyphenyl)carbonylamino]ethanoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 2-[(4-butoxybenzoyl)amino]acetate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]acetic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate Traditional Name: 2-[(4-butoxybenzoyl)amino]acetic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H34N2O5 MolecularWeight: 418.52646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NC2CCCCCC2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)O[C@H](C)C(=O)NC2CCCCCC2

InChI

InChI=1S/C23H34N2O5/c1-3-4-15-29-20-13-11-18(12-14-20)23(28)24-16-21(26)30-17(2)22(27)25-19-9-7-5-6-8-10-19/h11-14,17,19H,3-10,15-16H2,1-2H3,(H,24,28)(H,25,27)/t17-/m1/s1