phenacyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: phenacyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: phenacyl 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid phenacyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H22N2O4/c1-14(2)22-20(25)21-12-15-8-10-17(11-9-15)19(24)26-13-18(23)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H2,21,22,25)