ethyl (3R)-1-[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3R)-1-[2-[4-(4-ethyl-1-piperazinyl)anilino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[2-[4-(4-ethylpiperazino)anilino]-2-keto-ethyl]nipecotic acid ethyl ester Formula: C22H34N4O3 MolecularWeight: 402.53036

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CN3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CN3CCC[C@H](C3)C(=O)OCC

InChI

InChI=1S/C22H34N4O3/c1-3-24-12-14-26(15-13-24)20-9-7-19(8-10-20)23-21(27)17-25-11-5-6-18(16-25)22(28)29-4-2/h7-10,18H,3-6,11-17H2,1-2H3,(H,23,27)/t18-/m1/s1