[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)benzoate

Systemtic Name: [(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)benzoate Openeye Name: [(1S)-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-2-oxo-ethyl] 3-ureidobenzoate CAS Name: 3-(carbamoylamino)benzoic acid [(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 3-(carbamoylamino)benzoate Traditional Name: 3-ureidobenzoic acid [(1S)-2-keto-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-ethyl] ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)OC)OC(=O)C2=CC(=CC=C2)NC(=O)N

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=C(C=C1)OC)OC(=O)C2=CC(=CC=C2)NC(=O)N

InChI

InChI=1S/C20H23N3O5/c1-13(18(24)22-11-10-14-6-8-17(27-2)9-7-14)28-19(25)15-4-3-5-16(12-15)23-20(21)26/h3-9,12-13H,10-11H2,1-2H3,(H,22,24)(H3,21,23,26)/t13-/m0/s1