methyl (2S)-3-[3-bromanyl-1-(phenylcarbonyl)indol-5-yl]-2-formamido-2-methyl-propanoate

Systemtic Name: methyl (2S)-3-[3-bromanyl-1-(phenylcarbonyl)indol-5-yl]-2-formamido-2-methyl-propanoate Openeye Name: methyl (2S)-3-(1-benzoyl-3-bromo-indol-5-yl)-2-formamido-2-methyl-propanoate CAS Name: (2S)-3-(1-benzoyl-3-bromo-5-indolyl)-2-formamido-2-methylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1-benzoyl-3-bromoindol-5-yl)-2-formamido-2-methylpropanoate Traditional Name: (2S)-3-(1-benzoyl-3-bromo-indol-5-yl)-2-formamido-2-methyl-propionic acid methyl ester Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)N(C=C2Br)C(=O)C3=CC=CC=C3)(C(=O)OC)NC=O

Isomeric SMILES

C[C@](CC1=CC2=C(C=C1)N(C=C2Br)C(=O)C3=CC=CC=C3)(C(=O)OC)NC=O

InChI

InChI=1S/C21H19BrN2O4/c1-21(23-13-25,20(27)28-2)11-14-8-9-18-16(10-14)17(22)12-24(18)19(26)15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,23,25)/t21-/m0/s1