methyl 4-[2-[5-chloranyl-2-methanoyl-1-(phenylmethyl)indol-3-yl]ethoxy]benzoate

Systemtic Name: methyl 4-[2-[5-chloranyl-2-methanoyl-1-(phenylmethyl)indol-3-yl]ethoxy]benzoate Openeye Name: methyl 4-[2-(1-benzyl-5-chloro-2-formyl-indol-3-yl)ethoxy]benzoate CAS Name: 4-[2-[5-chloro-2-formyl-1-(phenylmethyl)-3-indolyl]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1-benzyl-5-chloro-2-formylindol-3-yl)ethoxy]benzoate Traditional Name: 4-[2-(1-benzyl-5-chloro-2-formyl-indol-3-yl)ethoxy]benzoic acid methyl ester Formula: C26H22ClNO4 MolecularWeight: 447.91018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCCC2=C(N(C3=C2C=C(C=C3)Cl)CC4=CC=CC=C4)C=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCCC2=C(N(C3=C2C=C(C=C3)Cl)CC4=CC=CC=C4)C=O

InChI

InChI=1S/C26H22ClNO4/c1-31-26(30)19-7-10-21(11-8-19)32-14-13-22-23-15-20(27)9-12-24(23)28(25(22)17-29)16-18-5-3-2-4-6-18/h2-12,15,17H,13-14,16H2,1H3