methyl 4-[[2-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-amino]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-amino]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[[2-(tert-butylamino)-2-oxo-ethyl]-methyl-amino]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[2-(tert-butylamino)-2-keto-ethyl]-methyl-amino]acetyl]amino]methyl]benzoic acid methyl ester Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)CC(=O)NCC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)CC(=O)NCC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C18H27N3O4/c1-18(2,3)20-16(23)12-21(4)11-15(22)19-10-13-6-8-14(9-7-13)17(24)25-5/h6-9H,10-12H2,1-5H3,(H,19,22)(H,20,23)