methyl 2-[(diphenylmethylidene)amino]-2-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]hept-5-ynoate

Systemtic Name: methyl 2-[(diphenylmethylidene)amino]-2-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]hept-5-ynoate Openeye Name: methyl 2-(benzhydrylideneamino)-7-(tert-butoxycarbonylamino)-2-methyl-hept-5-ynoate CAS Name: 2-[(diphenylmethylene)amino]-2-methyl-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-heptynoic acid methyl ester IUPAC Name: methyl 2-(benzhydrylideneamino)-2-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]hept-5-ynoate Traditional Name: 2-(benzhydrylideneamino)-7-(tert-butoxycarbonylamino)-2-methyl-hept-5-ynoic acid methyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC#CCCC(C)(C(=O)OC)N=C(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCC#CCCC(C)(C(=O)OC)N=C(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C27H32N2O4/c1-26(2,3)33-25(31)28-20-14-8-13-19-27(4,24(30)32-5)29-23(21-15-9-6-10-16-21)22-17-11-7-12-18-22/h6-7,9-12,15-18H,13,19-20H2,1-5H3,(H,28,31)