3-[5-[2-(2-cyclopropylethanoylamino)ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid

Systemtic Name: 3-[5-[2-(2-cyclopropylethanoylamino)ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid Openeye Name: 3-[5-[2-[(2-cyclopropylacetyl)amino]ethyl]-3-(3-pyridylmethyl)indol-1-yl]propanoic acid CAS Name: 3-[5-[2-[(2-cyclopropyl-1-oxoethyl)amino]ethyl]-3-(3-pyridinylmethyl)-1-indolyl]propanoic acid IUPAC Name: 3-[5-[2-[(2-cyclopropylacetyl)amino]ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid Traditional Name: 3-[5-[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=CC3=C(C=C2)N(C=C3CC4=CN=CC=C4)CCC(=O)O

Isomeric SMILES

C1CC1CC(=O)NCCC2=CC3=C(C=C2)N(C=C3CC4=CN=CC=C4)CCC(=O)O

InChI

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