[2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 3-azanyl-4-methyl-benzoate

Systemtic Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 3-azanyl-4-methyl-benzoate Openeye Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxo-ethyl] 3-amino-4-methyl-benzoate CAS Name: 3-amino-4-methylbenzoic acid [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate Traditional Name: 3-amino-4-methyl-benzoic acid [2-[[(2S)-2-ethylhexyl]amino]-2-keto-ethyl] ester Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)COC(=O)C1=CC(=C(C=C1)C)N

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)COC(=O)C1=CC(=C(C=C1)C)N

InChI

InChI=1S/C18H28N2O3/c1-4-6-7-14(5-2)11-20-17(21)12-23-18(22)15-9-8-13(3)16(19)10-15/h8-10,14H,4-7,11-12,19H2,1-3H3,(H,20,21)/t14-/m0/s1