[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-butoxybenzoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-butoxybenzoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C22H25NO4/c1-2-3-15-26-19-13-9-17(10-14-19)22(25)27-20(16-7-5-4-6-8-16)21(24)23-18-11-12-18/h4-10,13-14,18,20H,2-3,11-12,15H2,1H3,(H,23,24)/t20-/m1/s1