methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21N3O5/c1-27-20(25)17(10-13-12-22-16-5-3-2-4-15(13)16)24-21(26)23-14-6-7-18-19(11-14)29-9-8-28-18/h2-7,11-12,17,22H,8-10H2,1H3,(H2,23,24,26)