ethyl 3-[[4-(azepan-1-ylmethyl)piperidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[4-(azepan-1-ylmethyl)piperidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[4-(azepan-1-ylmethyl)piperidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[4-(1-azepanylmethyl)-1-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(azepan-1-ylmethyl)piperidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[4-(azepan-1-ylmethyl)piperidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCC(CC2)CN3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCC(CC2)CN3CCCCCC3

InChI

InChI=1S/C22H33N3O3/c1-2-28-21(26)19-8-7-9-20(16-19)23-22(27)25-14-10-18(11-15-25)17-24-12-5-3-4-6-13-24/h7-9,16,18H,2-6,10-15,17H2,1H3,(H,23,27)