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

Systemtic Name: (3,5-dimethylphenyl)methyl 3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate Openeye Name: (3,5-dimethylphenyl)methyl 3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate Traditional Name: 2-(carbomethoxyamino)-3-(1H-indol-3-yl)propionic acid (3,5-dimethylbenzyl) ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-14-8-15(2)10-16(9-14)13-28-21(25)20(24-22(26)27-3)11-17-12-23-19-7-5-4-6-18(17)19/h4-10,12,20,23H,11,13H2,1-3H3,(H,24,26)