methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-8-phenylazanyl-octanoate

Systemtic Name: methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-8-phenylazanyl-octanoate Openeye Name: methyl 8-anilino-7-(tert-butoxycarbonylamino)-8-oxo-octanoate CAS Name: 8-anilino-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxooctanoic acid methyl ester IUPAC Name: methyl 8-anilino-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxooctanoate Traditional Name: 8-anilino-7-(tert-butoxycarbonylamino)-8-keto-caprylic acid methyl ester Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCCC(=O)OC)C(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCCCC(=O)OC)C(=O)NC1=CC=CC=C1

InChI

InChI=1S/C20H30N2O5/c1-20(2,3)27-19(25)22-16(13-9-6-10-14-17(23)26-4)18(24)21-15-11-7-5-8-12-15/h5,7-8,11-12,16H,6,9-10,13-14H2,1-4H3,(H,21,24)(H,22,25)