[2-[(3,5-dimethylphenoxy)methyl]-1-methyl-indol-3-yl]methyl 3-chloranylbenzoate

Systemtic Name: [2-[(3,5-dimethylphenoxy)methyl]-1-methyl-indol-3-yl]methyl 3-chloranylbenzoate Openeye Name: [2-[(3,5-dimethylphenoxy)methyl]-1-methyl-indol-3-yl]methyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [2-[(3,5-dimethylphenoxy)methyl]-1-methyl-3-indolyl]methyl ester IUPAC Name: [2-[(3,5-dimethylphenoxy)methyl]-1-methylindol-3-yl]methyl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-[(3,5-dimethylphenoxy)methyl]-1-methyl-indol-3-yl]methyl ester Formula: C26H24ClNO3 MolecularWeight: 433.92666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2=C(C3=CC=CC=C3N2C)COC(=O)C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2=C(C3=CC=CC=C3N2C)COC(=O)C4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C26H24ClNO3/c1-17-11-18(2)13-21(12-17)30-16-25-23(22-9-4-5-10-24(22)28(25)3)15-31-26(29)19-7-6-8-20(27)14-19/h4-14H,15-16H2,1-3H3