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

Systemtic Name: [2-[(3,5-dimethylphenoxy)methyl]-1-ethyl-indol-3-yl]methyl 3-chloranylbenzoate Openeye Name: [2-[(3,5-dimethylphenoxy)methyl]-1-ethyl-indol-3-yl]methyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [2-[(3,5-dimethylphenoxy)methyl]-1-ethyl-3-indolyl]methyl ester IUPAC Name: [2-[(3,5-dimethylphenoxy)methyl]-1-ethylindol-3-yl]methyl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-[(3,5-dimethylphenoxy)methyl]-1-ethyl-indol-3-yl]methyl ester Formula: C27H26ClNO3 MolecularWeight: 447.95324

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1COC3=CC(=CC(=C3)C)C)COC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1COC3=CC(=CC(=C3)C)C)COC(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H26ClNO3/c1-4-29-25-11-6-5-10-23(25)24(16-32-27(30)20-8-7-9-21(28)15-20)26(29)17-31-22-13-18(2)12-19(3)14-22/h5-15H,4,16-17H2,1-3H3