2-[1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-phenanthridin-5-yl]ethanoic acid

Systemtic Name: 2-[1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-phenanthridin-5-yl]ethanoic acid Openeye Name: 2-[3-(tert-butoxycarbonylamino)-1-methyl-6-oxo-phenanthridin-5-yl]acetic acid CAS Name: 2-[1-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxo-5-phenanthridinyl]acetic acid IUPAC Name: 2-[1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxophenanthridin-5-yl]acetic acid Traditional Name: 2-[3-(tert-butoxycarbonylamino)-6-keto-1-methyl-phenanthridin-5-yl]acetic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C3=CC=CC=C3C(=O)N2CC(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC2=C1C3=CC=CC=C3C(=O)N2CC(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H22N2O5/c1-12-9-13(22-20(27)28-21(2,3)4)10-16-18(12)14-7-5-6-8-15(14)19(26)23(16)11-17(24)25/h5-10H,11H2,1-4H3,(H,22,27)(H,24,25)