tert-butyl N-[(2S)-1-[9-(4-aminophenyl)acridin-1-yl]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[9-(4-aminophenyl)acridin-1-yl]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[9-(4-aminophenyl)acridin-1-yl]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[9-(4-aminophenyl)-1-acridinyl]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[9-(4-aminophenyl)acridin-1-yl]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[9-(4-aminophenyl)acridin-1-yl]-2-keto-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC2=NC3=CC=CC=C3C(=C21)C4=CC=C(C=C4)N)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)C1=CC=CC2=NC3=CC=CC=C3C(=C21)C4=CC=C(C=C4)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H27N3O3/c1-16(29-26(32)33-27(2,3)4)25(31)20-9-7-11-22-24(20)23(17-12-14-18(28)15-13-17)19-8-5-6-10-21(19)30-22/h5-16H,28H2,1-4H3,(H,29,32)/t16-/m0/s1