3-[2-[2-(2-cyclopropylethanoylamino)ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid

Systemtic Name: 3-[2-[2-(2-cyclopropylethanoylamino)ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid Openeye Name: 3-[2-[2-[(2-cyclopropylacetyl)amino]ethyl]-3-(3-pyridylmethyl)indol-1-yl]propanoic acid CAS Name: 3-[2-[2-[(2-cyclopropyl-1-oxoethyl)amino]ethyl]-3-(3-pyridinylmethyl)-1-indolyl]propanoic acid IUPAC Name: 3-[2-[2-[(2-cyclopropylacetyl)amino]ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid Traditional Name: 3-[2-[2-[(2-cyclopropylacetyl)amino]ethyl]-3-(3-pyridylmethyl)indol-1-yl]propionic acid Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC(=O)NCCC2=C(C3=CC=CC=C3N2CCC(=O)O)CC4=CN=CC=C4

Isomeric SMILES

C1CC1CC(=O)NCCC2=C(C3=CC=CC=C3N2CCC(=O)O)CC4=CN=CC=C4

InChI

InChI=1S/C24H27N3O3/c28-23(15-17-7-8-17)26-12-9-22-20(14-18-4-3-11-25-16-18)19-5-1-2-6-21(19)27(22)13-10-24(29)30/h1-6,11,16-17H,7-10,12-15H2,(H,26,28)(H,29,30)