4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]pentanoic acid

Systemtic Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]pentanoic acid Openeye Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]pentanoic acid CAS Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]pentanoic acid IUPAC Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]pentanoic acid Traditional Name: 4-[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]valeric acid Formula: C22H24BrNO3 MolecularWeight: 430.33486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)OC)C(C)CCC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)OC)C(C)CCC(=O)O

InChI

InChI=1S/C22H24BrNO3/c1-14(4-11-21(25)26)22-15(2)24(13-16-5-7-17(23)8-6-16)20-10-9-18(27-3)12-19(20)22/h5-10,12,14H,4,11,13H2,1-3H3,(H,25,26)