[3-(acridin-9-ylamino)-5-[(2-ethyl-4-oxidanylidene-pentanoyl)amino]phenyl]methyl 2-ethyl-4-oxidanylidene-pentanoate

Systemtic Name: [3-(acridin-9-ylamino)-5-[(2-ethyl-4-oxidanylidene-pentanoyl)amino]phenyl]methyl 2-ethyl-4-oxidanylidene-pentanoate Openeye Name: [3-(acridin-9-ylamino)-5-[(2-ethyl-4-oxo-pentanoyl)amino]phenyl]methyl 2-ethyl-4-oxo-pentanoate CAS Name: 2-ethyl-4-oxopentanoic acid [3-(9-acridinylamino)-5-[(2-ethyl-1,4-dioxopentyl)amino]phenyl]methyl ester IUPAC Name: [3-(acridin-9-ylamino)-5-[(2-ethyl-4-oxopentanoyl)amino]phenyl]methyl 2-ethyl-4-oxopentanoate Traditional Name: 2-ethyl-4-keto-valeric acid [3-(acridin-9-ylamino)-5-[(2-ethyl-4-keto-pentanoyl)amino]benzyl] ester Formula: C34H37N3O5 MolecularWeight: 567.67468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H37N3O5/c1-5-24(15-21(3)38)33(40)36-27-18-23(20-42-34(41)25(6-2)16-22(4)39)17-26(19-27)35-32-28-11-7-9-13-30(28)37-31-14-10-8-12-29(31)32/h7-14,17-19,24-25H,5-6,15-16,20H2,1-4H3,(H,35,37)(H,36,40)