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

Systemtic Name: 12-[2-[1-(3-phenoxypropyl)indol-3-yl]ethanoylamino]dodecanoic acid Openeye Name: 12-[[2-[1-(3-phenoxypropyl)indol-3-yl]acetyl]amino]dodecanoic acid CAS Name: 12-[[1-oxo-2-[1-(3-phenoxypropyl)-3-indolyl]ethyl]amino]dodecanoic acid IUPAC Name: 12-[[2-[1-(3-phenoxypropyl)indol-3-yl]acetyl]amino]dodecanoic acid Traditional Name: 12-[[2-[1-(3-phenoxypropyl)indol-3-yl]acetyl]amino]lauric acid Formula: C31H42N2O4 MolecularWeight: 506.67618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCN2C=C(C3=CC=CC=C32)CC(=O)NCCCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCN2C=C(C3=CC=CC=C32)CC(=O)NCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C31H42N2O4/c34-30(32-21-14-7-5-3-1-2-4-6-11-20-31(35)36)24-26-25-33(29-19-13-12-18-28(26)29)22-15-23-37-27-16-9-8-10-17-27/h8-10,12-13,16-19,25H,1-7,11,14-15,20-24H2,(H,32,34)(H,35,36)