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

Systemtic Name: 4-[(4-methyl-1,4-diazepan-1-yl)carbonyl]benzoic acid Openeye Name: 4-(4-methyl-1,4-diazepane-1-carbonyl)benzoic acid CAS Name: 4-[(4-methyl-1,4-diazepan-1-yl)-oxomethyl]benzoic acid IUPAC Name: 4-(4-methyl-1,4-diazepane-1-carbonyl)benzoic acid Traditional Name: 4-(4-methyl-1,4-diazepane-1-carbonyl)benzoic acid Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN1CCCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H18N2O3/c1-15-7-2-8-16(10-9-15)13(17)11-3-5-12(6-4-11)14(18)19/h3-6H,2,7-10H2,1H3,(H,18,19)