tert-butyl 2-(2-chloranylquinolin-3-yl)-5-[(3-methoxy-1-phenylmethoxycarbonyl-pyrrolidin-1-ium-1-yl)methoxy]indole-1-carboxylate

Systemtic Name: tert-butyl 2-(2-chloranylquinolin-3-yl)-5-[(3-methoxy-1-phenylmethoxycarbonyl-pyrrolidin-1-ium-1-yl)methoxy]indole-1-carboxylate Openeye Name: tert-butyl 5-[(1-benzyloxycarbonyl-3-methoxy-pyrrolidin-1-ium-1-yl)methoxy]-2-(2-chloro-3-quinolyl)indole-1-carboxylate CAS Name: 2-(2-chloro-3-quinolinyl)-5-[(3-methoxy-1-phenylmethoxycarbonyl-1-pyrrolidin-1-iumyl)methoxy]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-chloroquinolin-3-yl)-5-[(3-methoxy-1-phenylmethoxycarbonylpyrrolidin-1-ium-1-yl)methoxy]indole-1-carboxylate Traditional Name: 5-[(1-carbobenzoxy-3-methoxy-pyrrolidin-1-ium-1-yl)methoxy]-2-(2-chloro-3-quinolyl)indole-1-carboxylic acid tert-butyl ester Formula: C36H37ClN3O6+ MolecularWeight: 643.14848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OC[N+]3(CCC(C3)OC)C(=O)OCC4=CC=CC=C4)C=C1C5=CC6=CC=CC=C6N=C5Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OC[N+]3(CCC(C3)OC)C(=O)OCC4=CC=CC=C4)C=C1C5=CC6=CC=CC=C6N=C5Cl

InChI

InChI=1S/C36H37ClN3O6/c1-36(2,3)46-34(41)39-31-15-14-27(18-26(31)20-32(39)29-19-25-12-8-9-13-30(25)38-33(29)37)45-23-40(17-16-28(21-40)43-4)35(42)44-22-24-10-6-5-7-11-24/h5-15,18-20,28H,16-17,21-23H2,1-4H3/q+1