ethyl 1-[2-(benzotriazol-2-yl)ethanoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(benzotriazol-2-yl)ethanoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(benzotriazol-2-yl)acetyl]-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[2-(2-benzotriazolyl)-1-oxoethyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(benzotriazol-2-yl)acetyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-[2-(benzotriazol-2-yl)acetyl]-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C25H30N4O3 MolecularWeight: 434.5307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CN2N=C3C=CC=CC3=N2)CCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CN2N=C3C=CC=CC3=N2)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3/c1-2-32-24(31)25(14-8-11-20-9-4-3-5-10-20)15-17-28(18-16-25)23(30)19-29-26-21-12-6-7-13-22(21)27-29/h3-7,9-10,12-13H,2,8,11,14-19H2,1H3