ethyl 3-[1-(1-ethylbenzotriazol-5-yl)carbonylpiperidin-4-yl]-3-(4-fluorophenyl)propanoate

Systemtic Name: ethyl 3-[1-(1-ethylbenzotriazol-5-yl)carbonylpiperidin-4-yl]-3-(4-fluorophenyl)propanoate Openeye Name: ethyl 3-[1-(1-ethylbenzotriazole-5-carbonyl)-4-piperidyl]-3-(4-fluorophenyl)propanoate CAS Name: 3-[1-[(1-ethyl-5-benzotriazolyl)-oxomethyl]-4-piperidinyl]-3-(4-fluorophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-(1-ethylbenzotriazole-5-carbonyl)piperidin-4-yl]-3-(4-fluorophenyl)propanoate Traditional Name: 3-[1-(1-ethylbenzotriazole-5-carbonyl)-4-piperidyl]-3-(4-fluorophenyl)propionic acid ethyl ester Formula: C25H29FN4O3 MolecularWeight: 452.521163

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(CC(=O)OCC)C4=CC=C(C=C4)F)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(CC(=O)OCC)C4=CC=C(C=C4)F)N=N1

InChI

InChI=1S/C25H29FN4O3/c1-3-30-23-10-7-19(15-22(23)27-28-30)25(32)29-13-11-18(12-14-29)21(16-24(31)33-4-2)17-5-8-20(26)9-6-17/h5-10,15,18,21H,3-4,11-14,16H2,1-2H3