methyl 3-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamoyl]benzoate

Systemtic Name: methyl 3-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamoyl]benzoate Openeye Name: methyl 3-[[[4-(pentanoylamino)benzoyl]amino]carbamoyl]benzoate CAS Name: 3-[oxo-[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[4-(pentanoylamino)benzoyl]amino]carbamoyl]benzoate Traditional Name: 3-[[[4-(valerylamino)benzoyl]amino]carbamoyl]benzoic acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C21H23N3O5/c1-3-4-8-18(25)22-17-11-9-14(10-12-17)19(26)23-24-20(27)15-6-5-7-16(13-15)21(28)29-2/h5-7,9-13H,3-4,8H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)