methyl 4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]benzoate CAS Name: 4-[[[2-acetamido-3-(1H-indol-3-yl)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]benzoate Traditional Name: 4-[[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]methyl]benzoic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H23N3O4/c1-14(26)25-20(11-17-13-23-19-6-4-3-5-18(17)19)21(27)24-12-15-7-9-16(10-8-15)22(28)29-2/h3-10,13,20,23H,11-12H2,1-2H3,(H,24,27)(H,25,26)