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

Systemtic Name: ditert-butyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]-4-(4-phenylmethoxybutanoylamino)heptanedioate Openeye Name: ditert-butyl 4-(4-benzyloxybutanoylamino)-4-(3-tert-butoxy-3-oxo-propyl)heptanedioate CAS Name: 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-4-[(1-oxo-4-phenylmethoxybutyl)amino]heptanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-4-(4-phenylmethoxybutanoylamino)heptanedioate Traditional Name: 4-(4-benzoxybutanoylamino)-4-(3-tert-butoxy-3-keto-propyl)pimelic acid ditert-butyl ester Formula: C33H53NO8 MolecularWeight: 591.77582

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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)CCCOCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)CCC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)NC(=O)CCCOCC1=CC=CC=C1

InChI

InChI=1S/C33H53NO8/c1-30(2,3)40-27(36)17-20-33(21-18-28(37)41-31(4,5)6,22-19-29(38)42-32(7,8)9)34-26(35)16-13-23-39-24-25-14-11-10-12-15-25/h10-12,14-15H,13,16-24H2,1-9H3,(H,34,35)