methyl 3-[4-[[4-(chloromethyl)phenyl]methyl]phenyl]carbonyl-4-methoxy-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[4-[[4-(chloromethyl)phenyl]methyl]phenyl]carbonyl-4-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[4-[[4-(chloromethyl)phenyl]methyl]benzoyl]-4-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[4-[[4-(chloromethyl)phenyl]methyl]phenyl]-oxomethyl]-4-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-[[4-(chloromethyl)phenyl]methyl]benzoyl]-4-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[4-[4-(chloromethyl)benzyl]benzoyl]-4-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C26H22ClNO4 MolecularWeight: 447.91018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)C(=O)C3=CC=C(C=C3)CC4=CC=C(C=C4)CCl

Isomeric SMILES

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)C(=O)C3=CC=C(C=C3)CC4=CC=C(C=C4)CCl

InChI

InChI=1S/C26H22ClNO4/c1-31-21-5-3-4-20-22(21)23(24(28-20)26(30)32-2)25(29)19-12-10-17(11-13-19)14-16-6-8-18(15-27)9-7-16/h3-13,28H,14-15H2,1-2H3