tert-butyl 2-(1,7-diphenylheptan-4-ylcarbamoyl)-4-[(2S)-2-oxidanyl-3-quinolin-5-yloxy-propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-(1,7-diphenylheptan-4-ylcarbamoyl)-4-[(2S)-2-oxidanyl-3-quinolin-5-yloxy-propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2S)-2-hydroxy-3-(5-quinolyloxy)propyl]-2-[[4-phenyl-1-(3-phenylpropyl)butyl]carbamoyl]piperazine-1-carboxylate CAS Name: 2-[(1,7-diphenylheptan-4-ylamino)-oxomethyl]-4-[(2S)-2-hydroxy-3-(5-quinolinyloxy)propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1,7-diphenylheptan-4-ylcarbamoyl)-4-[(2S)-2-hydroxy-3-quinolin-5-yloxypropyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-hydroxy-3-(5-quinolyloxy)propyl]-2-[[4-phenyl-1-(3-phenylpropyl)butyl]carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C41H52N4O5 MolecularWeight: 680.87538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1C(=O)NC(CCCC2=CC=CC=C2)CCCC3=CC=CC=C3)CC(COC4=CC=CC5=C4C=CC=N5)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1C(=O)NC(CCCC2=CC=CC=C2)CCCC3=CC=CC=C3)C[C@@H](COC4=CC=CC5=C4C=CC=N5)O

InChI

InChI=1S/C41H52N4O5/c1-41(2,3)50-40(48)45-27-26-44(28-34(46)30-49-38-24-12-23-36-35(38)22-13-25-42-36)29-37(45)39(47)43-33(20-10-18-31-14-6-4-7-15-31)21-11-19-32-16-8-5-9-17-32/h4-9,12-17,22-25,33-34,37,46H,10-11,18-21,26-30H2,1-3H3,(H,43,47)/t34-,37?/m0/s1