4-[[[(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)butanoyl]amino]methyl]benzoate

Systemtic Name: 4-[[[(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)butanoyl]amino]methyl]benzoate Openeye Name: 4-[[[(2S)-2-indan-5-yloxybutanoyl]amino]methyl]benzoate CAS Name: 4-[[[(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-oxobutyl]amino]methyl]benzoate IUPAC Name: 4-[[[(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)butanoyl]amino]methyl]benzoate Traditional Name: 4-[[[(2S)-2-indan-5-yloxybutanoyl]amino]methyl]benzoate Formula: C21H22NO4- MolecularWeight: 352.40368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=C(C=C1)C(=O)[O-])OC2=CC3=C(CCC3)C=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4/c1-2-19(26-18-11-10-15-4-3-5-17(15)12-18)20(23)22-13-14-6-8-16(9-7-14)21(24)25/h6-12,19H,2-5,13H2,1H3,(H,22,23)(H,24,25)/p-1/t19-/m0/s1