methyl 9-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: methyl 9-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: methyl 9-[2-(tert-butoxycarbonylamino)ethylcarbamoyl]-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 9-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylamino]-oxomethyl]-2,3-dihydro-1-benzoxepin-4-carboxylic acid methyl ester IUPAC Name: methyl 9-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 9-[2-(tert-butoxycarbonylamino)ethylcarbamoyl]-2,3-dihydro-1-benzoxepin-4-carboxylic acid methyl ester Formula: C20H26N2O6 MolecularWeight: 390.43024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCNC(=O)C1=CC=CC2=C1OCCC(=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCCNC(=O)C1=CC=CC2=C1OCCC(=C2)C(=O)OC

InChI

InChI=1S/C20H26N2O6/c1-20(2,3)28-19(25)22-10-9-21-17(23)15-7-5-6-13-12-14(18(24)26-4)8-11-27-16(13)15/h5-7,12H,8-11H2,1-4H3,(H,21,23)(H,22,25)