4-[[4-(azepan-1-ylmethyl)piperidin-1-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[4-(azepan-1-ylmethyl)piperidin-1-yl]carbonylamino]benzoic acid Openeye Name: 4-[[4-(azepan-1-ylmethyl)piperidine-1-carbonyl]amino]benzoic acid CAS Name: 4-[[[4-(1-azepanylmethyl)-1-piperidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-(azepan-1-ylmethyl)piperidine-1-carbonyl]amino]benzoic acid Traditional Name: 4-[[4-(azepan-1-ylmethyl)piperidine-1-carbonyl]amino]benzoic acid Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2CCN(CC2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCCN(CC1)CC2CCN(CC2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H29N3O3/c24-19(25)17-5-7-18(8-6-17)21-20(26)23-13-9-16(10-14-23)15-22-11-3-1-2-4-12-22/h5-8,16H,1-4,9-15H2,(H,21,26)(H,24,25)