ditert-butyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]-4-(4-pyren-1-ylbutanoylamino)heptanedioate

Systemtic Name: ditert-butyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]-4-(4-pyren-1-ylbutanoylamino)heptanedioate Openeye Name: ditert-butyl 4-(3-tert-butoxy-3-oxo-propyl)-4-(4-pyren-1-ylbutanoylamino)heptanedioate CAS Name: 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-4-[[1-oxo-4-(1-pyrenyl)butyl]amino]heptanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-4-(4-pyren-1-ylbutanoylamino)heptanedioate Traditional Name: 4-(3-tert-butoxy-3-keto-propyl)-4-(4-pyren-1-ylbutanoylamino)pimelic acid ditert-butyl ester Formula: C42H55NO7 MolecularWeight: 685.8886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)NC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CC(C)(C)OC(=O)CCC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)NC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C42H55NO7/c1-39(2,3)48-34(45)22-25-42(26-23-35(46)49-40(4,5)6,27-24-36(47)50-41(7,8)9)43-33(44)15-11-12-28-16-17-31-19-18-29-13-10-14-30-20-21-32(28)38(31)37(29)30/h10,13-14,16-21H,11-12,15,22-27H2,1-9H3,(H,43,44)