ethyl N-[4-[3-(ethoxycarbonylamino)-5-methyl-phenanthridin-5-ium-6-yl]phenyl]carbamate

Systemtic Name: ethyl N-[4-[3-(ethoxycarbonylamino)-5-methyl-phenanthridin-5-ium-6-yl]phenyl]carbamate Openeye Name: ethyl N-[4-[3-(ethoxycarbonylamino)-5-methyl-phenanthridin-5-ium-6-yl]phenyl]carbamate CAS Name: N-[4-[3-(ethoxycarbonylamino)-5-methyl-6-phenanthridin-5-iumyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[3-(ethoxycarbonylamino)-5-methylphenanthridin-5-ium-6-yl]phenyl]carbamate Traditional Name: N-[4-[3-(carbethoxyamino)-5-methyl-phenanthridin-5-ium-6-yl]phenyl]carbamic acid ethyl ester Formula: C26H26N3O4+ MolecularWeight: 444.50234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=C(C=C1)C2=[N+](C3=C(C=CC(=C3)NC(=O)OCC)C4=CC=CC=C42)C

Isomeric SMILES

CCOC(=O)NC1=CC=C(C=C1)C2=[N+](C3=C(C=CC(=C3)NC(=O)OCC)C4=CC=CC=C42)C

InChI

InChI=1S/C26H25N3O4/c1-4-32-25(30)27-18-12-10-17(11-13-18)24-22-9-7-6-8-20(22)21-15-14-19(16-23(21)29(24)3)28-26(31)33-5-2/h6-16H,4-5H2,1-3H3,(H,27,28,30,31)/p+1