ethyl 2-[2-(acridin-9-ylamino)-6-azanyl-4-(hydroxymethyl)phenyl]propanoate

Systemtic Name: ethyl 2-[2-(acridin-9-ylamino)-6-azanyl-4-(hydroxymethyl)phenyl]propanoate Openeye Name: ethyl 2-[2-(acridin-9-ylamino)-6-amino-4-(hydroxymethyl)phenyl]propanoate CAS Name: 2-[2-(9-acridinylamino)-6-amino-4-(hydroxymethyl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(acridin-9-ylamino)-6-amino-4-(hydroxymethyl)phenyl]propanoate Traditional Name: 2-[2-(acridin-9-ylamino)-6-amino-4-methylol-phenyl]propionic acid ethyl ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C1=C(C=C(C=C1NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO)N

Isomeric SMILES

CCOC(=O)C(C)C1=C(C=C(C=C1NC2=C3C=CC=CC3=NC4=CC=CC=C42)CO)N

InChI

InChI=1S/C25H25N3O3/c1-3-31-25(30)15(2)23-19(26)12-16(14-29)13-22(23)28-24-17-8-4-6-10-20(17)27-21-11-7-5-9-18(21)24/h4-13,15,29H,3,14,26H2,1-2H3,(H,27,28)