methyl 2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-carbonyl)amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O5/c1-27-21(26)17(9-13-11-23-16-5-3-2-4-14(13)16)24-20(25)12-8-15(22)19-18(10-12)28-6-7-29-19/h2-5,8,10-11,17,23H,6-7,9H2,1H3,(H,24,25)