tert-butyl 2-[[2-oxidanylidene-1-(2-oxidanylidene-2-phenylmethoxy-ethyl)azocan-3-yl]amino]-4-phenyl-butanoate

Systemtic Name: tert-butyl 2-[[2-oxidanylidene-1-(2-oxidanylidene-2-phenylmethoxy-ethyl)azocan-3-yl]amino]-4-phenyl-butanoate Openeye Name: tert-butyl 2-[[1-(2-benzyloxy-2-oxo-ethyl)-2-oxo-azocan-3-yl]amino]-4-phenyl-butanoate CAS Name: 2-[[2-oxo-1-(2-oxo-2-phenylmethoxyethyl)-3-azocanyl]amino]-4-phenylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-oxo-1-(2-oxo-2-phenylmethoxyethyl)azocan-3-yl]amino]-4-phenylbutanoate Traditional Name: 2-[[1-(2-benzoxy-2-keto-ethyl)-2-keto-azocan-3-yl]amino]-4-phenyl-butyric acid tert-butyl ester Formula: C30H40N2O5 MolecularWeight: 508.649

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC1=CC=CC=C1)NC2CCCCCN(C2=O)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C(CCC1=CC=CC=C1)NC2CCCCCN(C2=O)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H40N2O5/c1-30(2,3)37-29(35)26(19-18-23-13-7-4-8-14-23)31-25-17-11-6-12-20-32(28(25)34)21-27(33)36-22-24-15-9-5-10-16-24/h4-5,7-10,13-16,25-26,31H,6,11-12,17-22H2,1-3H3