(3,5-dimethylphenyl)methyl 2-(aminocarbonylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: (3,5-dimethylphenyl)methyl 2-(aminocarbonylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: (3,5-dimethylphenyl)methyl 3-(1H-indol-3-yl)-2-ureido-propanoate CAS Name: 2-(carbamoylamino)-3-(1H-indol-3-yl)propanoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 2-(carbamoylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-ureido-propionic acid (3,5-dimethylbenzyl) ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)N)C

InChI

InChI=1S/C21H23N3O3/c1-13-7-14(2)9-15(8-13)12-27-20(25)19(24-21(22)26)10-16-11-23-18-6-4-3-5-17(16)18/h3-9,11,19,23H,10,12H2,1-2H3,(H3,22,24,26)