sodium 4-[5-[(2-ethenyl-1-methoxycarbonyl-cyclopropyl)carbamoyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxy-7-methoxy-quinoline-2-carboxylate

Systemtic Name: sodium 4-[5-[(2-ethenyl-1-methoxycarbonyl-cyclopropyl)carbamoyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxy-7-methoxy-quinoline-2-carboxylate Openeye Name: sodium 4-[1-tert-butoxycarbonyl-5-[(1-methoxycarbonyl-2-vinyl-cyclopropyl)carbamoyl]pyrrolidin-3-yl]oxy-7-methoxy-quinoline-2-carboxylate CAS Name: sodium 4-[[5-[[(2-ethenyl-1-methoxycarbonylcyclopropyl)amino]-oxomethyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinyl]oxy]-7-methoxy-2-quinolinecarboxylate IUPAC Name: sodium 4-[5-[(2-ethenyl-1-methoxycarbonylcyclopropyl)carbamoyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxy-7-methoxyquinoline-2-carboxylate Traditional Name: sodium 4-[1-tert-butoxycarbonyl-5-[(1-carbomethoxy-2-vinyl-cyclopropyl)carbamoyl]pyrrolidin-3-yl]oxy-7-methoxy-quinaldate Formula: C28H32N3NaO9 MolecularWeight: 577.55815

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)OC)OC3=CC(=NC4=C3C=CC(=C4)OC)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)OC)OC3=CC(=NC4=C3C=CC(=C4)OC)C(=O)[O-].[Na+]

InChI

InChI=1S/C28H33N3O9.Na/c1-7-15-13-28(15,25(35)38-6)30-23(32)21-11-17(14-31(21)26(36)40-27(2,3)4)39-22-12-20(24(33)34)29-19-10-16(37-5)8-9-18(19)22;/h7-10,12,15,17,21H,1,11,13-14H2,2-6H3,(H,30,32)(H,33,34);/q;+1/p-1