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

Systemtic Name: methyl 3-azanyl-2-[[2-chloranyl-4-(1H-indol-4-ylmethylcarbamoyl)phenyl]carbonylamino]propanoate Openeye Name: methyl 3-amino-2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]propanoate CAS Name: 3-amino-2-[[[2-chloro-4-[(1H-indol-4-ylmethylamino)-oxomethyl]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-amino-2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]propanoate Traditional Name: 3-amino-2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]propionic acid methyl ester Formula: C21H21ClN4O4 MolecularWeight: 428.86884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CN)NC(=O)C1=C(C=C(C=C1)C(=O)NCC2=C3C=CNC3=CC=C2)Cl

Isomeric SMILES

COC(=O)C(CN)NC(=O)C1=C(C=C(C=C1)C(=O)NCC2=C3C=CNC3=CC=C2)Cl

InChI

InChI=1S/C21H21ClN4O4/c1-30-21(29)18(10-23)26-20(28)15-6-5-12(9-16(15)22)19(27)25-11-13-3-2-4-17-14(13)7-8-24-17/h2-9,18,24H,10-11,23H2,1H3,(H,25,27)(H,26,28)