3-(1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)carbonylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)carbonylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[(3,4,5-trimethoxybenzoyl)amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[(3,4,5-trimethoxybenzoyl)amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[(3,4,5-trimethoxybenzoyl)amino]propionic acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C21H22N2O6/c1-27-17-9-12(10-18(28-2)19(17)29-3)20(24)23-16(21(25)26)8-13-11-22-15-7-5-4-6-14(13)15/h4-7,9-11,16,22H,8H2,1-3H3,(H,23,24)(H,25,26)