methyl 4-[[[3-(cyclopropylcarbonylamino)phenyl]methylcarbamoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[3-(cyclopropylcarbonylamino)phenyl]methylcarbamoylamino]methyl]benzoate Openeye Name: methyl 4-[[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoylamino]methyl]benzoate CAS Name: 4-[[[[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methylamino]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoylamino]methyl]benzoate Traditional Name: 4-[[[3-(cyclopropanecarbonylamino)benzyl]carbamoylamino]methyl]benzoic acid methyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)NCC2=CC(=CC=C2)NC(=O)C3CC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)NCC2=CC(=CC=C2)NC(=O)C3CC3

InChI

InChI=1S/C21H23N3O4/c1-28-20(26)17-7-5-14(6-8-17)12-22-21(27)23-13-15-3-2-4-18(11-15)24-19(25)16-9-10-16/h2-8,11,16H,9-10,12-13H2,1H3,(H,24,25)(H2,22,23,27)