octyl 4-[2-[(1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: octyl 4-[2-[(1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: octyl 4-[2-[(1-carbamoyl-2-methyl-propyl)amino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethoxy]benzoic acid octyl ester IUPAC Name: octyl 4-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[(1-carbamoyl-2-methyl-propyl)amino]-2-keto-ethoxy]benzoic acid octyl ester Formula: C22H34N2O5 MolecularWeight: 406.51576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)OCC(=O)NC(C(C)C)C(=O)N

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)OCC(=O)NC(C(C)C)C(=O)N

InChI

InChI=1S/C22H34N2O5/c1-4-5-6-7-8-9-14-28-22(27)17-10-12-18(13-11-17)29-15-19(25)24-20(16(2)3)21(23)26/h10-13,16,20H,4-9,14-15H2,1-3H3,(H2,23,26)(H,24,25)