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

Systemtic Name: 12-[2-[1-(3-pyrrol-1-ylpropyl)indol-3-yl]ethanoylamino]dodecanoic acid Openeye Name: 12-[[2-[1-(3-pyrrol-1-ylpropyl)indol-3-yl]acetyl]amino]dodecanoic acid CAS Name: 12-[[1-oxo-2-[1-[3-(1-pyrrolyl)propyl]-3-indolyl]ethyl]amino]dodecanoic acid IUPAC Name: 12-[[2-[1-(3-pyrrol-1-ylpropyl)indol-3-yl]acetyl]amino]dodecanoic acid Traditional Name: 12-[[2-[1-(3-pyrrol-1-ylpropyl)indol-3-yl]acetyl]amino]lauric acid Formula: C29H41N3O3 MolecularWeight: 479.65414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCCN3C=CC=C3)CC(=O)NCCCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCCN3C=CC=C3)CC(=O)NCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C29H41N3O3/c33-28(30-18-11-7-5-3-1-2-4-6-8-17-29(34)35)23-25-24-32(27-16-10-9-15-26(25)27)22-14-21-31-19-12-13-20-31/h9-10,12-13,15-16,19-20,24H,1-8,11,14,17-18,21-23H2,(H,30,33)(H,34,35)