(6S)-6-methoxycarbonyl-5,5-dimethyl-3-oxidanylidene-2-[(Z)-N-(phenanthridin-6-ylamino)-C-propyl-carbonimidoyl]cyclohexen-1-olate

Systemtic Name: (6S)-6-methoxycarbonyl-5,5-dimethyl-3-oxidanylidene-2-[(Z)-N-(phenanthridin-6-ylamino)-C-propyl-carbonimidoyl]cyclohexen-1-olate Openeye Name: (6S)-6-methoxycarbonyl-5,5-dimethyl-3-oxo-2-[(Z)-N-(phenanthridin-6-ylamino)-C-propyl-carbonimidoyl]cyclohexen-1-olate CAS Name: (6S)-6-methoxycarbonyl-5,5-dimethyl-3-oxo-2-[(1Z)-1-(6-phenanthridinylhydrazinylidene)butyl]-1-cyclohexenolate IUPAC Name: (6S)-6-methoxycarbonyl-5,5-dimethyl-3-oxo-2-[(Z)-N-(phenanthridin-6-ylamino)-C-propylcarbonimidoyl]cyclohexen-1-olate Traditional Name: (6S)-6-carbomethoxy-3-keto-5,5-dimethyl-2-[(Z)-N-(phenanthridin-6-ylamino)-C-propyl-carbonimidoyl]cyclohexen-1-olate Formula: C27H28N3O4- MolecularWeight: 458.52892

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC1=NC2=CC=CC=C2C3=CC=CC=C31)C4=C(C(C(CC4=O)(C)C)C(=O)OC)[O-]

Isomeric SMILES

CCC/C(=N/NC1=NC2=CC=CC=C2C3=CC=CC=C31)/C4=C([C@H](C(CC4=O)(C)C)C(=O)OC)[O-]

InChI

InChI=1S/C27H29N3O4/c1-5-10-20(22-21(31)15-27(2,3)23(24(22)32)26(33)34-4)29-30-25-18-13-7-6-11-16(18)17-12-8-9-14-19(17)28-25/h6-9,11-14,23,32H,5,10,15H2,1-4H3,(H,28,30)/p-1/b29-20-/t23-/m0/s1