dimethyl 2-[[2-chloranyl-1-(phenylmethyl)indol-3-yl]methylidene]propanedioate

Systemtic Name: dimethyl 2-[[2-chloranyl-1-(phenylmethyl)indol-3-yl]methylidene]propanedioate Openeye Name: dimethyl 2-[(1-benzyl-2-chloro-indol-3-yl)methylene]propanedioate CAS Name: 2-[[2-chloro-1-(phenylmethyl)-3-indolyl]methylidene]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1-benzyl-2-chloroindol-3-yl)methylidene]propanedioate Traditional Name: 2-[(1-benzyl-2-chloro-indol-3-yl)methylene]malonic acid dimethyl ester Formula: C21H18ClNO4 MolecularWeight: 383.82492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C(=CC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)Cl)C(=O)OC

InChI

InChI=1S/C21H18ClNO4/c1-26-20(24)17(21(25)27-2)12-16-15-10-6-7-11-18(15)23(19(16)22)13-14-8-4-3-5-9-14/h3-12H,13H2,1-2H3