[2-oxidanylidene-2-[[(2S)-2-phenylbutyl]amino]ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylbutyl]amino]ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid [2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [2-keto-2-[[(2S)-2-phenylbutyl]amino]ethyl] ester Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)COC(=O)C1=CC=C(C=C1)CNC(=O)NC(C)C)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC(=O)COC(=O)C1=CC=C(C=C1)CNC(=O)NC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C24H31N3O4/c1-4-19(20-8-6-5-7-9-20)15-25-22(28)16-31-23(29)21-12-10-18(11-13-21)14-26-24(30)27-17(2)3/h5-13,17,19H,4,14-16H2,1-3H3,(H,25,28)(H2,26,27,30)/t19-/m1/s1