[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)benzoate

Systemtic Name: [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)benzoate Openeye Name: [(1S)-1-methyl-2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl] 3-ureidobenzoate CAS Name: 3-(carbamoylamino)benzoic acid [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 3-(carbamoylamino)benzoate Traditional Name: 3-ureidobenzoic acid [(1S)-2-keto-1-methyl-2-[(2S)-2-methylindolin-1-yl]ethyl] ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C(C)OC(=O)C3=CC(=CC=C3)NC(=O)N

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)[C@H](C)OC(=O)C3=CC(=CC=C3)NC(=O)N

InChI

InChI=1S/C20H21N3O4/c1-12-10-14-6-3-4-9-17(14)23(12)18(24)13(2)27-19(25)15-7-5-8-16(11-15)22-20(21)26/h3-9,11-13H,10H2,1-2H3,(H3,21,22,26)/t12-,13-/m0/s1