[cyano-(3-methoxyphenyl)methyl]-methyl-[3-(2-methylpropoxycarbonylamino)phenoxy]carbonyl-phenyl-azanium

Systemtic Name: [cyano-(3-methoxyphenyl)methyl]-methyl-[3-(2-methylpropoxycarbonylamino)phenoxy]carbonyl-phenyl-azanium Openeye Name: [cyano-(3-methoxyphenyl)methyl]-[3-(isobutoxycarbonylamino)phenoxy]carbonyl-methyl-phenyl-ammonium CAS Name: [cyano-(3-methoxyphenyl)methyl]-methyl-[[3-[[2-methylpropoxy(oxo)methyl]amino]phenoxy]-oxomethyl]-phenylammonium IUPAC Name: [cyano-(3-methoxyphenyl)methyl]-methyl-[3-(2-methylpropoxycarbonylamino)phenoxy]carbonyl-phenylazanium Traditional Name: [cyano-(3-methoxyphenyl)methyl]-[3-(isobutoxycarbonylamino)phenoxy]carbonyl-methyl-phenyl-ammonium Formula: C28H30N3O5+ MolecularWeight: 488.5549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC1=CC(=CC=C1)OC(=O)[N+](C)(C2=CC=CC=C2)C(C#N)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)COC(=O)NC1=CC(=CC=C1)OC(=O)[N+](C)(C2=CC=CC=C2)C(C#N)C3=CC(=CC=C3)OC

InChI

InChI=1S/C28H29N3O5/c1-20(2)19-35-27(32)30-22-11-9-15-25(17-22)36-28(33)31(3,23-12-6-5-7-13-23)26(18-29)21-10-8-14-24(16-21)34-4/h5-17,20,26H,19H2,1-4H3/p+1