4-[[3-(acridin-9-ylamino)-5-(ethoxycarbonylamino)phenyl]methoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(acridin-9-ylamino)-5-(ethoxycarbonylamino)phenyl]methoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-(acridin-9-ylamino)-5-(ethoxycarbonylamino)phenyl]methoxy]-4-oxo-butanoic acid CAS Name: 4-[[3-(9-acridinylamino)-5-(ethoxycarbonylamino)phenyl]methoxy]-4-oxobutanoic acid IUPAC Name: 4-[[3-(acridin-9-ylamino)-5-(ethoxycarbonylamino)phenyl]methoxy]-4-oxobutanoic acid Traditional Name: 4-[3-(acridin-9-ylamino)-5-(carbethoxyamino)benzyl]oxy-4-keto-butyric acid Formula: C27H25N3O6 MolecularWeight: 487.5039

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)COC(=O)CCC(=O)O

Isomeric SMILES

CCOC(=O)NC1=CC(=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)COC(=O)CCC(=O)O

InChI

InChI=1S/C27H25N3O6/c1-2-35-27(34)29-19-14-17(16-36-25(33)12-11-24(31)32)13-18(15-19)28-26-20-7-3-5-9-22(20)30-23-10-6-4-8-21(23)26/h3-10,13-15H,2,11-12,16H2,1H3,(H,28,30)(H,29,34)(H,31,32)