dimethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-naphthalen-2-ylcarbonyl-amino]heptanedioate

Systemtic Name: dimethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-naphthalen-2-ylcarbonyl-amino]heptanedioate Openeye Name: dimethyl 2-[2-(tert-butoxycarbonylamino)ethyl-(naphthalene-2-carbonyl)amino]heptanedioate CAS Name: 2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl-[2-naphthalenyl(oxo)methyl]amino]heptanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(naphthalene-2-carbonyl)amino]heptanedioate Traditional Name: 2-[2-(tert-butoxycarbonylamino)ethyl-(2-naphthoyl)amino]pimelic acid dimethyl ester Formula: C27H36N2O7 MolecularWeight: 500.58394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN(C(CCCCC(=O)OC)C(=O)OC)C(=O)C1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCN(C(CCCCC(=O)OC)C(=O)OC)C(=O)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C27H36N2O7/c1-27(2,3)36-26(33)28-16-17-29(22(25(32)35-5)12-8-9-13-23(30)34-4)24(31)21-15-14-19-10-6-7-11-20(19)18-21/h6-7,10-11,14-15,18,22H,8-9,12-13,16-17H2,1-5H3,(H,28,33)