2-[[3-(1H-indol-3-yl)propanoylamino]methyl]-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid

Systemtic Name: 2-[[3-(1H-indol-3-yl)propanoylamino]methyl]-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid Openeye Name: 2-[[3-(1H-indol-3-yl)propanoylamino]methyl]-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid CAS Name: 2-[[[3-(1H-indol-3-yl)-1-oxopropyl]amino]methyl]-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid IUPAC Name: 2-[[3-(1H-indol-3-yl)propanoylamino]methyl]-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid Traditional Name: 2-[[3-(1H-indol-3-yl)propanoylamino]methyl]-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1C(=O)O)CNC(=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1C(OC2=CC=CC=C2N1C(=O)O)CNC(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O4/c25-20(10-9-14-11-22-17-6-2-1-5-16(14)17)23-12-15-13-24(21(26)27)18-7-3-4-8-19(18)28-15/h1-8,11,15,22H,9-10,12-13H2,(H,23,25)(H,26,27)