methyl 3-benzamido-2-[[2-chloranyl-4-(1H-indol-4-ylmethylcarbamoyl)phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-benzamido-2-[[2-chloranyl-4-(1H-indol-4-ylmethylcarbamoyl)phenyl]carbonylamino]propanoate Openeye Name: methyl 3-benzamido-2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]propanoate CAS Name: 3-benzamido-2-[[[2-chloro-4-[(1H-indol-4-ylmethylamino)-oxomethyl]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-benzamido-2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]propanoate Traditional Name: 3-benzamido-2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]propionic acid methyl ester Formula: C28H25ClN4O5 MolecularWeight: 532.9749

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNC(=O)C1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)C(=O)NCC3=C4C=CNC4=CC=C3)Cl

Isomeric SMILES

COC(=O)C(CNC(=O)C1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)C(=O)NCC3=C4C=CNC4=CC=C3)Cl

InChI

InChI=1S/C28H25ClN4O5/c1-38-28(37)24(16-32-25(34)17-6-3-2-4-7-17)33-27(36)21-11-10-18(14-22(21)29)26(35)31-15-19-8-5-9-23-20(19)12-13-30-23/h2-14,24,30H,15-16H2,1H3,(H,31,35)(H,32,34)(H,33,36)