4-[[[(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)propanoyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)propanoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[(2S)-2-indan-5-yloxypropanoyl]amino]methyl]benzoic acid CAS Name: 4-[[[(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)propanoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[(2S)-2-indan-5-yloxypropanoyl]amino]methyl]benzoic acid Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)O)OC2=CC3=C(CCC3)C=C2

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)C(=O)O)OC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C20H21NO4/c1-13(25-18-10-9-15-3-2-4-17(15)11-18)19(22)21-12-14-5-7-16(8-6-14)20(23)24/h5-11,13H,2-4,12H2,1H3,(H,21,22)(H,23,24)/t13-/m0/s1