2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-(1H-indol-3-yl)propionic acid Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C20H19N3O5/c24-19(25)16(9-12-11-21-15-4-2-1-3-14(12)15)23-20(26)22-13-5-6-17-18(10-13)28-8-7-27-17/h1-6,10-11,16,21H,7-9H2,(H,24,25)(H2,22,23,26)