2-[(4-butyl-1,4-diazepan-1-yl)carbonyl]benzoic acid

Systemtic Name: 2-[(4-butyl-1,4-diazepan-1-yl)carbonyl]benzoic acid Openeye Name: 2-(4-butyl-1,4-diazepane-1-carbonyl)benzoic acid CAS Name: 2-[(4-butyl-1,4-diazepan-1-yl)-oxomethyl]benzoic acid IUPAC Name: 2-(4-butyl-1,4-diazepane-1-carbonyl)benzoic acid Traditional Name: 2-(4-butyl-1,4-diazepane-1-carbonyl)benzoic acid Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCN(CC1)C(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCN1CCCN(CC1)C(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H24N2O3/c1-2-3-9-18-10-6-11-19(13-12-18)16(20)14-7-4-5-8-15(14)17(21)22/h4-5,7-8H,2-3,6,9-13H2,1H3,(H,21,22)