ethyl 2-[2-acetamido-6-(acridin-9-ylamino)-4-(hydroxymethyl)phenyl]pentanoate

Systemtic Name: ethyl 2-[2-acetamido-6-(acridin-9-ylamino)-4-(hydroxymethyl)phenyl]pentanoate Openeye Name: ethyl 2-[2-acetamido-6-(acridin-9-ylamino)-4-(hydroxymethyl)phenyl]pentanoate CAS Name: 2-[2-acetamido-6-(9-acridinylamino)-4-(hydroxymethyl)phenyl]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[2-acetamido-6-(acridin-9-ylamino)-4-(hydroxymethyl)phenyl]pentanoate Traditional Name: 2-[2-acetamido-6-(acridin-9-ylamino)-4-methylol-phenyl]valeric acid ethyl ester Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=C(C=C1NC(=O)C)CO)NC2=C3C=CC=CC3=NC4=CC=CC=C42)C(=O)OCC

Isomeric SMILES

CCCC(C1=C(C=C(C=C1NC(=O)C)CO)NC2=C3C=CC=CC3=NC4=CC=CC=C42)C(=O)OCC

InChI

InChI=1S/C29H31N3O4/c1-4-10-22(29(35)36-5-2)27-25(30-18(3)34)15-19(17-33)16-26(27)32-28-20-11-6-8-13-23(20)31-24-14-9-7-12-21(24)28/h6-9,11-16,22,33H,4-5,10,17H2,1-3H3,(H,30,34)(H,31,32)