sodium 4-[5-[(2-ethenyl-1-ethoxycarbonyl-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-ethoxycarbonyl-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-ethoxycarbonyl-2-vinyl-cyclopropyl)carbamoyl]pyrrolidin-3-yl]oxy-7-methoxy-quinoline-2-carboxylate CAS Name: sodium 4-[[5-[[(2-ethenyl-1-ethoxycarbonylcyclopropyl)amino]-oxomethyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinyl]oxy]-7-methoxy-2-quinolinecarboxylate IUPAC Name: sodium 4-[5-[(2-ethenyl-1-ethoxycarbonylcyclopropyl)carbamoyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxy-7-methoxyquinoline-2-carboxylate Traditional Name: sodium 4-[1-tert-butoxycarbonyl-5-[(1-carbethoxy-2-vinyl-cyclopropyl)carbamoyl]pyrrolidin-3-yl]oxy-7-methoxy-quinaldate Formula: C29H34N3NaO9 MolecularWeight: 591.58473

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC1C=C)NC(=O)C2CC(CN2C(=O)OC(C)(C)C)OC3=CC(=NC4=C3C=CC(=C4)OC)C(=O)[O-].[Na+]

Isomeric SMILES

CCOC(=O)C1(CC1C=C)NC(=O)C2CC(CN2C(=O)OC(C)(C)C)OC3=CC(=NC4=C3C=CC(=C4)OC)C(=O)[O-].[Na+]

InChI

InChI=1S/C29H35N3O9.Na/c1-7-16-14-29(16,26(36)39-8-2)31-24(33)22-12-18(15-32(22)27(37)41-28(3,4)5)40-23-13-21(25(34)35)30-20-11-17(38-6)9-10-19(20)23;/h7,9-11,13,16,18,22H,1,8,12,14-15H2,2-6H3,(H,31,33)(H,34,35);/q;+1/p-1