methyl 3-[2-(5-bromanyl-2-methyl-1H-indol-3-yl)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[2-(5-bromanyl-2-methyl-1H-indol-3-yl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-(5-bromo-2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-(5-bromo-2-methyl-1H-indol-3-yl)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(5-bromo-2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-(5-bromo-2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)Br)CC(=O)NC(CC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)Br)CC(=O)NC(CC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H21BrN2O3/c1-13-16(17-10-15(22)8-9-18(17)23-13)11-20(25)24-19(12-21(26)27-2)14-6-4-3-5-7-14/h3-10,19,23H,11-12H2,1-2H3,(H,24,25)