tert-butyl 2-[[2-(acridin-9-ylamino)-3-methyl-butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-[[2-(acridin-9-ylamino)-3-methyl-butanoyl]amino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[[2-(acridin-9-ylamino)-3-methyl-butanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-(9-acridinylamino)-3-methyl-1-oxobutyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(acridin-9-ylamino)-3-methylbutanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(acridin-9-ylamino)-3-methyl-butanoyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C31H35N3O3 MolecularWeight: 497.6279

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)OC(C)(C)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)OC(C)(C)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42

InChI

InChI=1S/C31H35N3O3/c1-20(2)27(34-28-22-15-9-11-17-24(22)32-25-18-12-10-16-23(25)28)29(35)33-26(30(36)37-31(3,4)5)19-21-13-7-6-8-14-21/h6-18,20,26-27H,19H2,1-5H3,(H,32,34)(H,33,35)