12-[2-[1-(2-phenoxyethyl)indol-3-yl]ethanoylamino]dodecanoic acid

Systemtic Name: 12-[2-[1-(2-phenoxyethyl)indol-3-yl]ethanoylamino]dodecanoic acid Openeye Name: 12-[[2-[1-(2-phenoxyethyl)indol-3-yl]acetyl]amino]dodecanoic acid CAS Name: 12-[[1-oxo-2-[1-(2-phenoxyethyl)-3-indolyl]ethyl]amino]dodecanoic acid IUPAC Name: 12-[[2-[1-(2-phenoxyethyl)indol-3-yl]acetyl]amino]dodecanoic acid Traditional Name: 12-[[2-[1-(2-phenoxyethyl)indol-3-yl]acetyl]amino]lauric acid Formula: C30H40N2O4 MolecularWeight: 492.6496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)CC(=O)NCCCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)CC(=O)NCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C30H40N2O4/c33-29(31-20-14-7-5-3-1-2-4-6-11-19-30(34)35)23-25-24-32(28-18-13-12-17-27(25)28)21-22-36-26-15-9-8-10-16-26/h8-10,12-13,15-18,24H,1-7,11,14,19-23H2,(H,31,33)(H,34,35)