methyl (E)-3-(2H-benzotriazol-5-yl)-2-[[2-bromanyl-4-(1H-indol-4-ylmethylcarbamoyl)phenyl]carbonylamino]prop-2-enoate

Systemtic Name: methyl (E)-3-(2H-benzotriazol-5-yl)-2-[[2-bromanyl-4-(1H-indol-4-ylmethylcarbamoyl)phenyl]carbonylamino]prop-2-enoate Openeye Name: methyl (E)-3-(2H-benzotriazol-5-yl)-2-[[2-bromo-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]prop-2-enoate CAS Name: (E)-3-(2H-benzotriazol-5-yl)-2-[[[2-bromo-4-[(1H-indol-4-ylmethylamino)-oxomethyl]phenyl]-oxomethyl]amino]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(2H-benzotriazol-5-yl)-2-[[2-bromo-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]prop-2-enoate Traditional Name: (E)-3-(2H-benzotriazol-5-yl)-2-[[2-bromo-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]acrylic acid methyl ester Formula: C27H21BrN6O4 MolecularWeight: 573.39744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC2=NNN=C2C=C1)NC(=O)C3=C(C=C(C=C3)C(=O)NCC4=C5C=CNC5=CC=C4)Br

Isomeric SMILES

COC(=O)/C(=C\C1=CC2=NNN=C2C=C1)/NC(=O)C3=C(C=C(C=C3)C(=O)NCC4=C5C=CNC5=CC=C4)Br

InChI

InChI=1S/C27H21BrN6O4/c1-38-27(37)24(12-15-5-8-22-23(11-15)33-34-32-22)31-26(36)19-7-6-16(13-20(19)28)25(35)30-14-17-3-2-4-21-18(17)9-10-29-21/h2-13,29H,14H2,1H3,(H,30,35)(H,31,36)(H,32,33,34)/b24-12+