ethyl 4-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-[(1-methyl-3-piperidyl)methyl]piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-[(1-methyl-3-piperidinyl)methyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-[(1-methyl-3-piperidyl)methyl]piperazine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3CCCN(C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3CCCN(C3)C

InChI

InChI=1S/C21H32N4O3/c1-3-28-20(26)18-6-8-19(9-7-18)22-21(27)25-13-11-24(12-14-25)16-17-5-4-10-23(2)15-17/h6-9,17H,3-5,10-16H2,1-2H3,(H,22,27)