methyl 1-[(2-chlorophenyl)methyl]-2-(4-methoxy-4-oxidanylidene-butyl)indole-6-carboxylate

Systemtic Name: methyl 1-[(2-chlorophenyl)methyl]-2-(4-methoxy-4-oxidanylidene-butyl)indole-6-carboxylate Openeye Name: methyl 1-[(2-chlorophenyl)methyl]-2-(4-methoxy-4-oxo-butyl)indole-6-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-2-(4-methoxy-4-oxobutyl)-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-chlorophenyl)methyl]-2-(4-methoxy-4-oxobutyl)indole-6-carboxylate Traditional Name: 1-(2-chlorobenzyl)-2-(4-keto-4-methoxy-butyl)indole-6-carboxylic acid methyl ester Formula: C22H22ClNO4 MolecularWeight: 399.86738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)OC

Isomeric SMILES

COC(=O)CCCC1=CC2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H22ClNO4/c1-27-21(25)9-5-7-18-12-15-10-11-16(22(26)28-2)13-20(15)24(18)14-17-6-3-4-8-19(17)23/h3-4,6,8,10-13H,5,7,9,14H2,1-2H3