tert-butyl N-[(2S)-1-[[4-[(1,2-dimethylindolizin-4-ium-3-ylidene)amino]-3-methoxy-phenyl]amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[4-[(1,2-dimethylindolizin-4-ium-3-ylidene)amino]-3-methoxy-phenyl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[4-[(1,2-dimethylindolizin-4-ium-3-ylidene)amino]-3-methoxy-anilino]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[4-[(1,2-dimethyl-3-indolizin-4-iumylidene)amino]-3-methoxyanilino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[4-[(1,2-dimethylindolizin-4-ium-3-ylidene)amino]-3-methoxyanilino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[4-[(1,2-dimethylindolizin-4-ium-3-ylidene)amino]-3-methoxy-anilino]-2-keto-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C25H31N4O4+ MolecularWeight: 451.53804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C(C=C(C=C2)NC(=O)C(C)NC(=O)OC(C)(C)C)OC)[N+]3=CC=CC=C13)C

Isomeric SMILES

CC1=C(C(=NC2=C(C=C(C=C2)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)OC)[N+]3=CC=CC=C13)C

InChI

InChI=1S/C25H30N4O4/c1-15-16(2)22(29-13-9-8-10-20(15)29)28-19-12-11-18(14-21(19)32-7)27-23(30)17(3)26-24(31)33-25(4,5)6/h8-14,17H,1-7H3,(H,26,31)/p+1/t17-/m0/s1