2-[[3-(azepan-1-yl)propanoylamino]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-(azepan-1-yl)propanoylamino]carbamoyl]benzoic acid Openeye Name: 2-[[3-(azepan-1-yl)propanoylamino]carbamoyl]benzoic acid CAS Name: 2-[[[3-(1-azepanyl)-1-oxopropyl]hydrazo]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-(azepan-1-yl)propanoylamino]carbamoyl]benzoic acid Traditional Name: 2-[[3-(azepan-1-yl)propanoylamino]carbamoyl]benzoic acid Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC(=O)NNC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CCCN(CC1)CCC(=O)NNC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H23N3O4/c21-15(9-12-20-10-5-1-2-6-11-20)18-19-16(22)13-7-3-4-8-14(13)17(23)24/h3-4,7-8H,1-2,5-6,9-12H2,(H,18,21)(H,19,22)(H,23,24)