3-[[2-methyl-3-[1-(2-piperidin-4-ylethyl)indol-3-yl]propanoyl]amino]propanoic acid

Systemtic Name: 3-[[2-methyl-3-[1-(2-piperidin-4-ylethyl)indol-3-yl]propanoyl]amino]propanoic acid Openeye Name: 3-[[2-methyl-3-[1-[2-(4-piperidyl)ethyl]indol-3-yl]propanoyl]amino]propanoic acid CAS Name: 3-[[2-methyl-1-oxo-3-[1-[2-(4-piperidinyl)ethyl]-3-indolyl]propyl]amino]propanoic acid IUPAC Name: 3-[[2-methyl-3-[1-(2-piperidin-4-ylethyl)indol-3-yl]propanoyl]amino]propanoic acid Traditional Name: 3-[[2-methyl-3-[1-[2-(4-piperidyl)ethyl]indol-3-yl]propanoyl]amino]propionic acid Formula: C22H31N3O3 MolecularWeight: 385.49984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CN(C2=CC=CC=C21)CCC3CCNCC3)C(=O)NCCC(=O)O

Isomeric SMILES

CC(CC1=CN(C2=CC=CC=C21)CCC3CCNCC3)C(=O)NCCC(=O)O

InChI

InChI=1S/C22H31N3O3/c1-16(22(28)24-12-8-21(26)27)14-18-15-25(20-5-3-2-4-19(18)20)13-9-17-6-10-23-11-7-17/h2-5,15-17,23H,6-14H2,1H3,(H,24,28)(H,26,27)