ethyl 4-[4-(piperidin-4-ylcarbonylamino)phenyl]piperazine-1-carboxylate; methyl ethanoate

Systemtic Name: ethyl 4-[4-(piperidin-4-ylcarbonylamino)phenyl]piperazine-1-carboxylate; methyl ethanoate Openeye Name: ethyl 4-[4-(piperidine-4-carbonylamino)phenyl]piperazine-1-carboxylate; methyl acetate CAS Name: acetic acid methyl ester; 4-[4-[[oxo(4-piperidinyl)methyl]amino]phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(piperidine-4-carbonylamino)phenyl]piperazine-1-carboxylate; methyl acetate Traditional Name: acetic acid methyl ester; 4-[4-(isonipecotoylamino)phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H34N4O5 MolecularWeight: 434.52916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCNCC3.CC(=O)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCNCC3.CC(=O)OC

InChI

InChI=1S/C19H28N4O3.C3H6O2/c1-2-26-19(25)23-13-11-22(12-14-23)17-5-3-16(4-6-17)21-18(24)15-7-9-20-10-8-15;1-3(4)5-2/h3-6,15,20H,2,7-14H2,1H3,(H,21,24);1-2H3