methyl 4-[[(1-phenylcyclopropyl)methylcarbamoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(1-phenylcyclopropyl)methylcarbamoylamino]methyl]benzoate Openeye Name: methyl 4-[[(1-phenylcyclopropyl)methylcarbamoylamino]methyl]benzoate CAS Name: 4-[[[oxo-[(1-phenylcyclopropyl)methylamino]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1-phenylcyclopropyl)methylcarbamoylamino]methyl]benzoate Traditional Name: 4-[[(1-phenylcyclopropyl)methylcarbamoylamino]methyl]benzoic acid methyl ester Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)NCC2(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)NCC2(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3/c1-25-18(23)16-9-7-15(8-10-16)13-21-19(24)22-14-20(11-12-20)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H2,21,22,24)