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

Systemtic Name: 3-[1-(4-bromophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]propanoic acid Openeye Name: 3-[1-(4-bromobenzoyl)-5-methoxy-2-methyl-indol-3-yl]propanoic acid CAS Name: 3-[1-[(4-bromophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]propanoic acid IUPAC Name: 3-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]propanoic acid Traditional Name: 3-[1-(4-bromobenzoyl)-5-methoxy-2-methyl-indol-3-yl]propionic acid Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Br)C=CC(=C2)OC)CCC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Br)C=CC(=C2)OC)CCC(=O)O

InChI

InChI=1S/C20H18BrNO4/c1-12-16(8-10-19(23)24)17-11-15(26-2)7-9-18(17)22(12)20(25)13-3-5-14(21)6-4-13/h3-7,9,11H,8,10H2,1-2H3,(H,23,24)