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

Systemtic Name: methyl 4-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[[4-(pentanoylamino)benzoyl]amino]carbamoyl]benzoate CAS Name: 4-[oxo-[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-(pentanoylamino)benzoyl]amino]carbamoyl]benzoate Traditional Name: 4-[[[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=C(C=C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-3-4-5-18(25)22-17-12-10-15(11-13-17)20(27)24-23-19(26)14-6-8-16(9-7-14)21(28)29-2/h6-13H,3-5H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)