[2-[(4-bromanylphenoxy)methyl]-1,5-dimethyl-indol-3-yl]methyl 3-chloranylbenzoate

Systemtic Name: [2-[(4-bromanylphenoxy)methyl]-1,5-dimethyl-indol-3-yl]methyl 3-chloranylbenzoate Openeye Name: [2-[(4-bromophenoxy)methyl]-1,5-dimethyl-indol-3-yl]methyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [2-[(4-bromophenoxy)methyl]-1,5-dimethyl-3-indolyl]methyl ester IUPAC Name: [2-[(4-bromophenoxy)methyl]-1,5-dimethylindol-3-yl]methyl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-[(4-bromophenoxy)methyl]-1,5-dimethyl-indol-3-yl]methyl ester Formula: C25H21BrClNO3 MolecularWeight: 498.79614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2COC(=O)C3=CC(=CC=C3)Cl)COC4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2COC(=O)C3=CC(=CC=C3)Cl)COC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C25H21BrClNO3/c1-16-6-11-23-21(12-16)22(14-31-25(29)17-4-3-5-19(27)13-17)24(28(23)2)15-30-20-9-7-18(26)8-10-20/h3-13H,14-15H2,1-2H3