[2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [2-(3-ethylanilino)-2-oxo-ethyl] 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid [2-(3-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylanilino)-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [2-(3-ethylanilino)-2-keto-ethyl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C

InChI

InChI=1S/C22H27N3O4/c1-4-16-6-5-7-19(12-16)25-20(26)14-29-21(27)18-10-8-17(9-11-18)13-23-22(28)24-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,25,26)(H2,23,24,28)