2-[1-[[4-(2-bromanylethanoylamino)phenyl]methyl]-5-methoxy-2-methyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-[[4-(2-bromanylethanoylamino)phenyl]methyl]-5-methoxy-2-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-5-methoxy-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-[[4-[(2-bromo-1-oxoethyl)amino]phenyl]methyl]-5-methoxy-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-5-methoxy-2-methylindol-3-yl]acetic acid Traditional Name: 2-[1-[4-[(2-bromoacetyl)amino]benzyl]-5-methoxy-2-methyl-indol-3-yl]acetic acid Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)NC(=O)CBr)C=CC(=C2)OC)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)NC(=O)CBr)C=CC(=C2)OC)CC(=O)O

InChI

InChI=1S/C21H21BrN2O4/c1-13-17(10-21(26)27)18-9-16(28-2)7-8-19(18)24(13)12-14-3-5-15(6-4-14)23-20(25)11-22/h3-9H,10-12H2,1-2H3,(H,23,25)(H,26,27)