(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(1H-indol-3-yl)propanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(1H-indol-3-yl)propanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)CCC3=CNC4=CC=CC=C43)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)CCC3=CNC4=CC=CC=C43)Cl)OC1

InChI

InChI=1S/C21H20ClNO4/c22-17-10-14(11-19-21(17)26-9-3-8-25-19)13-27-20(24)7-6-15-12-23-18-5-2-1-4-16(15)18/h1-2,4-5,10-12,23H,3,6-9,13H2