[2-[[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl] 3-methoxy-4-phenylmethoxy-benzoate

Systemtic Name: [2-[[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl] 3-methoxy-4-phenylmethoxy-benzoate Openeye Name: [2-[[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-benzyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-phenylmethoxybenzoic acid [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 3-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-methoxy-benzoic acid [2-[[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)COC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)COC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C22H26N2O6/c1-4-23-21(26)15(2)24-20(25)14-30-22(27)17-10-11-18(19(12-17)28-3)29-13-16-8-6-5-7-9-16/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)(H,24,25)/t15-/m0/s1