methyl 4-[[phenethyl-[3-(phenylcarbamoylamino)propyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[phenethyl-[3-(phenylcarbamoylamino)propyl]amino]methyl]benzoate Openeye Name: methyl 4-[[phenethyl-[3-(phenylcarbamoylamino)propyl]amino]methyl]benzoate CAS Name: 4-[[3-[[anilino(oxo)methyl]amino]propyl-phenethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[phenethyl-[3-(phenylcarbamoylamino)propyl]amino]methyl]benzoate Traditional Name: 4-[[phenethyl-[3-(phenylcarbamoylamino)propyl]amino]methyl]benzoic acid methyl ester Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(CCCNC(=O)NC2=CC=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(CCCNC(=O)NC2=CC=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C27H31N3O3/c1-33-26(31)24-15-13-23(14-16-24)21-30(20-17-22-9-4-2-5-10-22)19-8-18-28-27(32)29-25-11-6-3-7-12-25/h2-7,9-16H,8,17-21H2,1H3,(H2,28,29,32)