methyl 4-(1,7-diphenylheptan-4-ylamino)-4-oxidanylidene-3-[[1-(2-oxidanyl-3-quinolin-5-yloxy-propyl)piperidin-4-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-(1,7-diphenylheptan-4-ylamino)-4-oxidanylidene-3-[[1-(2-oxidanyl-3-quinolin-5-yloxy-propyl)piperidin-4-yl]carbonylamino]butanoate Openeye Name: methyl 3-[[1-[2-hydroxy-3-(5-quinolyloxy)propyl]piperidine-4-carbonyl]amino]-4-oxo-4-[[4-phenyl-1-(3-phenylpropyl)butyl]amino]butanoate CAS Name: 4-(1,7-diphenylheptan-4-ylamino)-3-[[[1-[2-hydroxy-3-(5-quinolinyloxy)propyl]-4-piperidinyl]-oxomethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(1,7-diphenylheptan-4-ylamino)-3-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carbonyl]amino]-4-oxobutanoate Traditional Name: 3-[[1-[2-hydroxy-3-(5-quinolyloxy)propyl]isonipecotoyl]amino]-4-keto-4-[[4-phenyl-1-(3-phenylpropyl)butyl]amino]butyric acid methyl ester Formula: C42H52N4O6 MolecularWeight: 708.88548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)NC(CCCC1=CC=CC=C1)CCCC2=CC=CC=C2)NC(=O)C3CCN(CC3)CC(COC4=CC=CC5=C4C=CC=N5)O

Isomeric SMILES

COC(=O)CC(C(=O)NC(CCCC1=CC=CC=C1)CCCC2=CC=CC=C2)NC(=O)C3CCN(CC3)CC(COC4=CC=CC5=C4C=CC=N5)O

InChI

InChI=1S/C42H52N4O6/c1-51-40(48)28-38(42(50)44-34(18-8-16-31-12-4-2-5-13-31)19-9-17-32-14-6-3-7-15-32)45-41(49)33-23-26-46(27-24-33)29-35(47)30-52-39-22-10-21-37-36(39)20-11-25-43-37/h2-7,10-15,20-22,25,33-35,38,47H,8-9,16-19,23-24,26-30H2,1H3,(H,44,50)(H,45,49)