(2S)-2-(acridin-9-ylcarbonylamino)-3-(4-pentoxyphenyl)propanoic acid

Systemtic Name: (2S)-2-(acridin-9-ylcarbonylamino)-3-(4-pentoxyphenyl)propanoic acid Openeye Name: (2S)-2-(acridine-9-carbonylamino)-3-(4-pentoxyphenyl)propanoic acid CAS Name: (2S)-2-[[9-acridinyl(oxo)methyl]amino]-3-(4-pentoxyphenyl)propanoic acid IUPAC Name: (2S)-2-(acridine-9-carbonylamino)-3-(4-pentoxyphenyl)propanoic acid Traditional Name: (2S)-2-(acridine-9-carbonylamino)-3-(4-amoxyphenyl)propionic acid Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=C3C=CC=CC3=NC4=CC=CC=C42

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C2=C3C=CC=CC3=NC4=CC=CC=C42

InChI

InChI=1S/C28H28N2O4/c1-2-3-8-17-34-20-15-13-19(14-16-20)18-25(28(32)33)30-27(31)26-21-9-4-6-11-23(21)29-24-12-7-5-10-22(24)26/h4-7,9-16,25H,2-3,8,17-18H2,1H3,(H,30,31)(H,32,33)/t25-/m0/s1