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

Systemtic Name: ditert-butyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]-4-(phenylmethoxycarbonylamino)heptanedioate Openeye Name: ditert-butyl 4-(benzyloxycarbonylamino)-4-(3-tert-butoxy-3-oxo-propyl)heptanedioate CAS Name: 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-4-(phenylmethoxycarbonylamino)heptanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-4-(phenylmethoxycarbonylamino)heptanedioate Traditional Name: 4-(benzyloxycarbonylamino)-4-(3-tert-butoxy-3-keto-propyl)pimelic acid ditert-butyl ester Formula: C30H47NO8 MolecularWeight: 549.69608

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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)OCC1=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)OCC1=CC=CC=C1

InChI

InChI=1S/C30H47NO8/c1-27(2,3)37-23(32)15-18-30(19-16-24(33)38-28(4,5)6,20-17-25(34)39-29(7,8)9)31-26(35)36-21-22-13-11-10-12-14-22/h10-14H,15-21H2,1-9H3,(H,31,35)