3-(1H-indol-3-yl)-2-(3-methylbut-2-enoylamino)propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-(3-methylbut-2-enoylamino)propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-(3-methylbut-2-enoylamino)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[(3-methyl-1-oxobut-2-enyl)amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-(3-methylbut-2-enoylamino)propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-(3-methylbut-2-enoylamino)propionic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)C

Isomeric SMILES

CC(=CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)C

InChI

InChI=1S/C16H18N2O3/c1-10(2)7-15(19)18-14(16(20)21)8-11-9-17-13-6-4-3-5-12(11)13/h3-7,9,14,17H,8H2,1-2H3,(H,18,19)(H,20,21)