[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: [2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [2-(diisobutylamino)-2-oxo-ethyl] 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid [2-[bis(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [2-(diisobutylamino)-2-keto-ethyl] ester Formula: C22H35N3O4 MolecularWeight: 405.531

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)COC(=O)C1=CC=C(C=C1)CNC(=O)NC(C)C

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)COC(=O)C1=CC=C(C=C1)CNC(=O)NC(C)C

InChI

InChI=1S/C22H35N3O4/c1-15(2)12-25(13-16(3)4)20(26)14-29-21(27)19-9-7-18(8-10-19)11-23-22(28)24-17(5)6/h7-10,15-17H,11-14H2,1-6H3,(H2,23,24,28)