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

Systemtic Name: 5-[[3-(acridin-9-ylamino)-5-(ethoxycarbonylamino)phenyl]methoxy]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[3-(acridin-9-ylamino)-5-(ethoxycarbonylamino)phenyl]methoxy]-5-oxo-pentanoic acid CAS Name: 5-[[3-(9-acridinylamino)-5-(ethoxycarbonylamino)phenyl]methoxy]-5-oxopentanoic acid IUPAC Name: 5-[[3-(acridin-9-ylamino)-5-(ethoxycarbonylamino)phenyl]methoxy]-5-oxopentanoic acid Traditional Name: 5-[3-(acridin-9-ylamino)-5-(carbethoxyamino)benzyl]oxy-5-keto-valeric acid Formula: C28H27N3O6 MolecularWeight: 501.53048

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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)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O6/c1-2-36-28(35)30-20-15-18(17-37-26(34)13-7-12-25(32)33)14-19(16-20)29-27-21-8-3-5-10-23(21)31-24-11-6-4-9-22(24)27/h3-6,8-11,14-16H,2,7,12-13,17H2,1H3,(H,29,31)(H,30,35)(H,32,33)