dihydrogen phosphate; (phenylmethyl) N-[5-ethyl-3-(phenoxycarbonylamino)-6-phenyl-phenanthridin-5-ium-8-yl]carbamate

Systemtic Name: dihydrogen phosphate; (phenylmethyl) N-[5-ethyl-3-(phenoxycarbonylamino)-6-phenyl-phenanthridin-5-ium-8-yl]carbamate Openeye Name: dihydrogen phosphate; phenyl N-[8-(benzyloxycarbonylamino)-5-ethyl-6-phenyl-phenanthridin-5-ium-3-yl]carbamate CAS Name: dihydrogen phosphate; N-[5-ethyl-3-[[oxo(phenoxy)methyl]amino]-6-phenyl-8-phenanthridin-5-iumyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-ethyl-3-(phenoxycarbonylamino)-6-phenylphenanthridin-5-ium-8-yl]carbamate; dihydrogen phosphate Traditional Name: N-[8-(benzyloxycarbonylamino)-5-ethyl-6-phenyl-phenanthridin-5-ium-3-yl]carbamic acid phenyl ester; dihydrogen phosphate Formula: C36H32N3O8P MolecularWeight: 665.628341

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)NC(=O)OC6=CC=CC=C6.OP(=O)(O)[O-]

Isomeric SMILES

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)NC(=O)OC6=CC=CC=C6.OP(=O)(O)[O-]

InChI

InChI=1S/C36H29N3O4.H3O4P/c1-2-39-33-23-28(38-36(41)43-29-16-10-5-11-17-29)19-21-31(33)30-20-18-27(22-32(30)34(39)26-14-8-4-9-15-26)37-35(40)42-24-25-12-6-3-7-13-25;1-5(2,3)4/h3-23H,2,24H2,1H3,(H,37,40);(H3,1,2,3,4)