tert-butyl 4-[[1-(1,7-diphenylheptan-4-ylamino)-1-oxidanylidene-3-pyridin-3-yl-propan-2-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-(1,7-diphenylheptan-4-ylamino)-1-oxidanylidene-3-pyridin-3-yl-propan-2-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-oxo-2-[[4-phenyl-1-(3-phenylpropyl)butyl]amino]-1-(3-pyridylmethyl)ethyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[1-(1,7-diphenylheptan-4-ylamino)-1-oxo-3-(3-pyridinyl)propan-2-yl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-(1,7-diphenylheptan-4-ylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[2-keto-2-[[4-phenyl-1-(3-phenylpropyl)butyl]amino]-1-(3-pyridylmethyl)ethyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C38H50N4O4 MolecularWeight: 626.828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC(CC2=CN=CC=C2)C(=O)NC(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC(CC2=CN=CC=C2)C(=O)NC(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C38H50N4O4/c1-38(2,3)46-37(45)42-25-22-32(23-26-42)35(43)41-34(27-31-19-12-24-39-28-31)36(44)40-33(20-10-17-29-13-6-4-7-14-29)21-11-18-30-15-8-5-9-16-30/h4-9,12-16,19,24,28,32-34H,10-11,17-18,20-23,25-27H2,1-3H3,(H,40,44)(H,41,43)